PubChemLite - 6h-pyrido(4,3-b)carbazole, ethanol deriv. (C25H32N4O3)

Structural Information

Molecular Formula

SMILES

CC1=C2C=CN=C(C2=C(C3=C1NC4=C3C=C(C=C4)OC)C)NCCCN(CCO)CCO

InChI

InChI=1S/C25H32N4O3/c1-16-19-7-9-27-25(26-8-4-10-29(11-13-30)12-14-31)23(19)17(2)22-20-15-18(32-3)5-6-21(20)28-24(16)22/h5-7,9,15,28,30-31H,4,8,10-14H2,1-3H3,(H,26,27)

InChIKey

IASFTLBWFHWYIA-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]amino]ethanol

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]+	437.25472	207.3
[M+Na]+	459.23666	214.9
[M-H]-	435.24016	209.0
[M+NH4]+	454.28126	217.7
[M+K]+	475.21060	208.4
[M+H-H2O]+	419.24470	197.9
[M+HCOO]-	481.24564	224.8
[M+CH3COO]-	495.26129	236.3
[M+Na-2H]-	457.22211	210.7
[M]+	436.24689	214.4
[M]-	436.24799	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

437.25472

207.3

[M+Na]+

459.23666

214.9

[M-H]-

435.24016

209.0

[M+NH4]+

454.28126

217.7

[M+K]+

475.21060

208.4

[M+H-H2O]+

419.24470

197.9

[M+HCOO]-

481.24564

224.8

[M+CH3COO]-

495.26129

236.3

[M+Na-2H]-

457.22211

210.7

[M]+

436.24689

214.4

[M]-

436.24799

214.4

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

6h-pyrido(4,3-b)carbazole, ethanol deriv.

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe