CID 6481453

N-(6-guanidinohexyl)-9h-pyrido[3,4-b]indole-3-carboxamide

Structural Information

Molecular Formula
C19H24N6O
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCCCCCN=C(N)N
InChI
InChI=1S/C19H24N6O/c20-19(21)23-10-6-2-1-5-9-22-18(26)16-11-14-13-7-3-4-8-15(13)25-17(14)12-24-16/h3-4,7-8,11-12,25H,1-2,5-6,9-10H2,(H,22,26)(H4,20,21,23)
InChIKey
NZKOZNXEBIZLEX-UHFFFAOYSA-N
Compound name
N-[6-(diaminomethylideneamino)hexyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

352.20117 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.20845 180.1
[M+Na]+ 375.19039 185.0
[M-H]- 351.19389 181.8
[M+NH4]+ 370.23499 192.5
[M+K]+ 391.16433 179.4
[M+H-H2O]+ 335.19843 170.6
[M+HCOO]- 397.19937 202.1
[M+CH3COO]- 411.21502 224.0
[M+Na-2H]- 373.17584 185.0
[M]+ 352.20062 179.2
[M]- 352.20172 179.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.