PubChemLite - Nsc695934 (C25H33N5O)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C25H33N5O/c1-16-19-9-12-28-25(27-11-6-14-30(3)13-5-10-26)23(19)17(2)22-20-15-18(31-4)7-8-21(20)29-24(16)22/h7-9,12,15,29H,5-6,10-11,13-14,26H2,1-4H3,(H,27,28)

InChIKey

DJOIHEFMQSELQL-UHFFFAOYSA-N

Compound name

N'-[3-[(9-methoxy-5,11-dimethyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]-N'-methylpropane-1,3-diamine

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]+	420.27580	205.7
[M+Na]+	442.25774	213.9
[M-H]-	418.26124	209.6
[M+NH4]+	437.30234	217.9
[M+K]+	458.23168	207.1
[M+H-H2O]+	402.26578	195.8
[M+HCOO]-	464.26672	226.3
[M+CH3COO]-	478.28237	214.3
[M+Na-2H]-	440.24319	209.2
[M]+	419.26797	212.1
[M]-	419.26907	212.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.27580

205.7

[M+Na]+

442.25774

213.9

[M-H]-

418.26124

209.6

[M+NH4]+

437.30234

217.9

[M+K]+

458.23168

207.1

[M+H-H2O]+

402.26578

195.8

[M+HCOO]-

464.26672

226.3

[M+CH3COO]-

478.28237

214.3

[M+Na-2H]-

440.24319

209.2

[M]+

419.26797

212.1

[M]-

419.26907

212.1

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

Nsc695934

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe