PubChemLite - Brn 5646043 (C25H33N5O)

Structural Information

Molecular Formula

SMILES

CCN(CCCN)CCCNC1=NC=CC2=C(C3=C(C=C21)C4=C(N3)C=CC(=C4)OC)C

InChI

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

InChIKey

JRIMPEODFBNUHP-UHFFFAOYSA-N

Compound name

N'-ethyl-N'-[3-[(9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazol-1-yl)amino]propyl]propane-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	203.8
[M+Na]+	442.25774	211.1
[M-H]-	418.26124	207.3
[M+NH4]+	437.30234	215.6
[M+K]+	458.23168	204.2
[M+H-H2O]+	402.26578	193.6
[M+HCOO]-	464.26672	224.5
[M+CH3COO]-	478.28237	212.1
[M+Na-2H]-	440.24319	208.2
[M]+	419.26797	209.7
[M]-	419.26907	209.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.27580

203.8

[M+Na]+

442.25774

211.1

[M-H]-

418.26124

207.3

[M+NH4]+

437.30234

215.6

[M+K]+

458.23168

204.2

[M+H-H2O]+

402.26578

193.6

[M+HCOO]-

464.26672

224.5

[M+CH3COO]-

478.28237

212.1

[M+Na-2H]-

440.24319

208.2

[M]+

419.26797

209.7

[M]-

419.26907

209.7

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

Brn 5646043

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe