PubChemLite - Jm-1232 (C24H27N3O2)

Structural Information

Molecular Formula

SMILES

CN1CCN(CC1)C(=O)C[C@@H]2C3=C(C=C4CCCC4=C3)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C24H27N3O2/c1-25-10-12-26(13-11-25)23(28)16-22-20-14-17-6-5-7-18(17)15-21(20)24(29)27(22)19-8-3-2-4-9-19/h2-4,8-9,14-15,22H,5-7,10-13,16H2,1H3/t22-/m1/s1

InChIKey

MBGOHVUPIPFVMM-JOCHJYFZSA-N

Compound name

(3R)-3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-2-phenyl-3,5,6,7-tetrahydrocyclopenta[f]isoindol-1-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]+	390.21761	197.7
[M+Na]+	412.19955	202.8
[M-H]-	388.20305	204.5
[M+NH4]+	407.24415	209.9
[M+K]+	428.17349	196.2
[M+H-H2O]+	372.20759	187.1
[M+HCOO]-	434.20853	209.4
[M+CH3COO]-	448.22418	205.3
[M+Na-2H]-	410.18500	192.3
[M]+	389.20978	193.6
[M]-	389.21088	193.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.21761

197.7

[M+Na]+

412.19955

202.8

[M-H]-

388.20305

204.5

[M+NH4]+

407.24415

209.9

[M+K]+

428.17349

196.2

[M+H-H2O]+

372.20759

187.1

[M+HCOO]-

434.20853

209.4

[M+CH3COO]-

448.22418

205.3

[M+Na-2H]-

410.18500

192.3

[M]+

389.20978

193.6

[M]-

389.21088

193.6

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

Jm-1232

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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