CID 6481452

N-(2-guanidinoethyl)-1-methyl-9h-pyrido[3,4-b]indole-3-carboxamide

Structural Information

Molecular Formula
C16H18N6O
SMILES
CC1=C2C(=CC(=N1)C(=O)NCCN=C(N)N)C3=CC=CC=C3N2
InChI
InChI=1S/C16H18N6O/c1-9-14-11(10-4-2-3-5-12(10)22-14)8-13(21-9)15(23)19-6-7-20-16(17)18/h2-5,8,22H,6-7H2,1H3,(H,19,23)(H4,17,18,20)
InChIKey
VKRKQIKRNQRTKH-UHFFFAOYSA-N
Compound name
N-[2-(diaminomethylideneamino)ethyl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

310.1542 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16148 169.0
[M+Na]+ 333.14342 176.3
[M-H]- 309.14692 171.8
[M+NH4]+ 328.18802 183.5
[M+K]+ 349.11736 171.3
[M+H-H2O]+ 293.15146 160.4
[M+HCOO]- 355.15240 192.0
[M+CH3COO]- 369.16805 216.4
[M+Na-2H]- 331.12887 174.5
[M]+ 310.15365 167.6
[M]- 310.15475 167.6
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.