CID 5360730

Gpa 127

Structural Information

Molecular Formula
C13H11N3O
SMILES
CC1=C2C(=CC(=N1)C(=O)N)C3=CC=CC=C3N2
InChI
InChI=1S/C13H11N3O/c1-7-12-9(6-11(15-7)13(14)17)8-4-2-3-5-10(8)16-12/h2-6,16H,1H3,(H2,14,17)
InChIKey
WWOQNKXXDOLCLH-UHFFFAOYSA-N
Compound name
1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

225.09021 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.09749 148.4
[M+Na]+ 248.07943 159.4
[M-H]- 224.08293 150.7
[M+NH4]+ 243.12403 167.1
[M+K]+ 264.05337 153.8
[M+H-H2O]+ 208.08747 141.4
[M+HCOO]- 270.08841 169.3
[M+CH3COO]- 284.10406 161.1
[M+Na-2H]- 246.06488 154.8
[M]+ 225.08966 148.5
[M]- 225.09076 148.5
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.