CID 6481451

N-(2-guanidinoethyl)-9h-pyrido[3,4-b]indole-3-carboxamide

Structural Information

Molecular Formula
C15H16N6O
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCN=C(N)N
InChI
InChI=1S/C15H16N6O/c16-15(17)19-6-5-18-14(22)12-7-10-9-3-1-2-4-11(9)21-13(10)8-20-12/h1-4,7-8,21H,5-6H2,(H,18,22)(H4,16,17,19)
InChIKey
WWPUPGOXKSLMMG-UHFFFAOYSA-N
Compound name
N-[2-(diaminomethylideneamino)ethyl]-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

296.13855 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.14583 162.7
[M+Na]+ 319.12777 169.6
[M-H]- 295.13127 165.3
[M+NH4]+ 314.17237 177.5
[M+K]+ 335.10171 164.7
[M+H-H2O]+ 279.13581 154.1
[M+HCOO]- 341.13675 186.2
[M+CH3COO]- 355.15240 173.1
[M+Na-2H]- 317.11322 169.7
[M]+ 296.13800 160.6
[M]- 296.13910 160.6
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.