PubChemLite - 12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one (C27H24N2O3)

Structural Information

Molecular Formula

SMILES

CC(C)OC1=CC2=C(C=C1)C3=C(CC2)C4=C(C5=CC=CC=C5N4CCO)C6=C3C(=O)N=C6

InChI

InChI=1S/C27H24N2O3/c1-15(2)32-17-8-10-18-16(13-17)7-9-20-23(18)25-21(14-28-27(25)31)24-19-5-3-4-6-22(19)29(11-12-30)26(20)24/h3-6,8,10,13-15,30H,7,9,11-12H2,1-2H3

InChIKey

FGKKIHITEICGMN-UHFFFAOYSA-N

Compound name

3-(2-hydroxyethyl)-20-propan-2-yloxy-3,13-diazahexacyclo[14.8.0.02,10.04,9.011,15.017,22]tetracosa-1(16),2(10),4,6,8,11(15),12,17(22),18,20-decaen-14-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	425.18596	204.7
[M+Na]+	447.16790	214.6
[M-H]-	423.17140	210.0
[M+NH4]+	442.21250	220.0
[M+K]+	463.14184	206.9
[M+H-H2O]+	407.17594	195.9
[M+HCOO]-	469.17688	218.0
[M+CH3COO]-	483.19253	213.6
[M+Na-2H]-	445.15335	204.6
[M]+	424.17813	210.2
[M]-	424.17923	210.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.18596

204.7

[M+Na]+

447.16790

214.6

[M-H]-

423.17140

210.0

[M+NH4]+

442.21250

220.0

[M+K]+

463.14184

206.9

[M+H-H2O]+

407.17594

195.9

[M+HCOO]-

469.17688

218.0

[M+CH3COO]-

483.19253

213.6

[M+Na-2H]-

445.15335

204.6

[M]+

424.17813

210.2

[M]-

424.17923

210.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

12-(2-hydroxyethyl)-2-(1-methylethoxy)-13,14-dihydronaphtho[2,1-a]pyrrolo[3,4-c]carbazol-5(12h)-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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