CID 6481449

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

Structural Information

Molecular Formula
C18H22N4O
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCCCCCN
InChI
InChI=1S/C18H22N4O/c19-9-5-1-2-6-10-20-18(23)16-11-14-13-7-3-4-8-15(13)22-17(14)12-21-16/h3-4,7-8,11-12,22H,1-2,5-6,9-10,19H2,(H,20,23)
InChIKey
OMDGSZNSPFLDIJ-UHFFFAOYSA-N
Compound name
N-(6-aminohexyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

310.17935 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.18663 172.4
[M+Na]+ 333.16857 179.2
[M-H]- 309.17207 173.3
[M+NH4]+ 328.21317 186.9
[M+K]+ 349.14251 172.7
[M+H-H2O]+ 293.17661 163.7
[M+HCOO]- 355.17755 192.6
[M+CH3COO]- 369.19320 182.0
[M+Na-2H]- 331.15402 177.7
[M]+ 310.17880 172.9
[M]- 310.17990 172.9
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.