CID 4375

Fg 7142

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

187
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.