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

2
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

literature stripe

Patent stripe

patents stripe