CID 4375

78538-74-6

Structural Information

Molecular Formula
C13H11N3O
SMILES
CNC(=O)C1=NC=C2C(=C1)C3=CC=CC=C3N2
InChI
InChI=1S/C13H11N3O/c1-14-13(17)11-6-9-8-4-2-3-5-10(8)16-12(9)7-15-11/h2-7,16H,1H3,(H,14,17)
InChIKey
QMCOPDWHWYSJSA-UHFFFAOYSA-N
Compound name
N-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

429
References

157
Patents

225.09021 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.1
[M+Na]+ 248.07943 161.9
[M+NH4]+ 243.12403 156.6
[M+K]+ 264.05337 156.7
[M-H]- 224.08293 150.2
[M+Na-2H]- 246.06488 154.6
[M]+ 225.08966 150.6
[M]- 225.09076 150.6
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

patents stripe