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

430
References

162
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 147.5
[M+Na]+ 248.07943 157.6
[M-H]- 224.08293 149.8
[M+NH4]+ 243.12403 166.2
[M+K]+ 264.05337 152.3
[M+H-H2O]+ 208.08747 140.1
[M+HCOO]- 270.08841 169.0
[M+CH3COO]- 284.10406 160.1
[M+Na-2H]- 246.06488 155.7
[M]+ 225.08966 148.0
[M]- 225.09076 148.0
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