CID 85122

2-methylquinoline-4-carboxamide

Structural Information

Molecular Formula
C11H10N2O
SMILES
CC1=NC2=CC=CC=C2C(=C1)C(=O)N
InChI
InChI=1S/C11H10N2O/c1-7-6-9(11(12)14)8-4-2-3-5-10(8)13-7/h2-6H,1H3,(H2,12,14)
InChIKey
GPTOAZYKFYMYMW-UHFFFAOYSA-N
Compound name
2-methylquinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

66
Patents

186.07932 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.086596 138.3
[M+Na]+ 209.068538 147.4
[M-H]- 185.072044 141.6
[M+NH4]+ 204.113143 157.6
[M+K]+ 225.042478 144.0
[M+H-H2O]+ 169.076580 131.6
[M+HCOO]- 231.077521 160.7
[M+CH3COO]- 245.093171 185.9
[M+Na-2H]- 207.053986 145.6
[M]+ 186.07877142 137.4
[M]- 186.07986858 137.4
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