CID 3009464

Chembl320238

Structural Information

Molecular Formula
C15H16N4O
SMILES
C1=CC=C2C(=C1)C3=CC(=NC=C3N2)C(=O)NCCCN
InChI
InChI=1S/C15H16N4O/c16-6-3-7-17-15(20)13-8-11-10-4-1-2-5-12(10)19-14(11)9-18-13/h1-2,4-5,8-9,19H,3,6-7,16H2,(H,17,20)
InChIKey
CCOJIJBKMLAUTI-UHFFFAOYSA-N
Compound name
N-(3-aminopropyl)-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

268.13242 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.13970 159.0
[M+Na]+ 291.12164 167.2
[M-H]- 267.12514 160.5
[M+NH4]+ 286.16624 175.3
[M+K]+ 307.09558 161.3
[M+H-H2O]+ 251.12968 151.0
[M+HCOO]- 313.13062 180.3
[M+CH3COO]- 327.14627 170.0
[M+Na-2H]- 289.10709 165.9
[M]+ 268.13187 158.6
[M]- 268.13297 158.6
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.