CID 6481450

N-(6-aminohexyl)-1-methyl-9h-pyrido[3,4-b]indole-3-carboxamide

Structural Information

Molecular Formula
C19H24N4O
SMILES
CC1=C2C(=CC(=N1)C(=O)NCCCCCCN)C3=CC=CC=C3N2
InChI
InChI=1S/C19H24N4O/c1-13-18-15(14-8-4-5-9-16(14)23-18)12-17(22-13)19(24)21-11-7-3-2-6-10-20/h4-5,8-9,12,23H,2-3,6-7,10-11,20H2,1H3,(H,21,24)
InChIKey
RIULZDIMLYVZOQ-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

324.195 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.20228 178.2
[M+Na]+ 347.18422 185.4
[M-H]- 323.18772 179.3
[M+NH4]+ 342.22882 192.4
[M+K]+ 363.15816 178.7
[M+H-H2O]+ 307.19226 169.6
[M+HCOO]- 369.19320 198.0
[M+CH3COO]- 383.20885 213.3
[M+Na-2H]- 345.16967 182.2
[M]+ 324.19445 179.4
[M]- 324.19555 179.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.