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]+ 325.202276 178.2
[M+Na]+ 347.184218 185.4
[M-H]- 323.187724 179.3
[M+NH4]+ 342.228823 192.4
[M+K]+ 363.158158 178.7
[M+H-H2O]+ 307.192260 169.6
[M+HCOO]- 369.193201 198.0
[M+CH3COO]- 383.208851 213.3
[M+Na-2H]- 345.169666 182.2
[M]+ 324.19445142 179.4
[M]- 324.19554858 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.