CID 459664

N-(2-methylquinolin-6-yl)acetamide

Structural Information

Molecular Formula
C12H12N2O
SMILES
CC1=NC2=C(C=C1)C=C(C=C2)NC(=O)C
InChI
InChI=1S/C12H12N2O/c1-8-3-4-10-7-11(14-9(2)15)5-6-12(10)13-8/h3-7H,1-2H3,(H,14,15)
InChIKey
ZWLXQDPVQTXRLQ-UHFFFAOYSA-N
Compound name
N-(2-methylquinolin-6-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

31
Patents

200.09496 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.10224 142.5
[M+Na]+ 223.08418 151.2
[M-H]- 199.08768 146.2
[M+NH4]+ 218.12878 161.6
[M+K]+ 239.05812 148.0
[M+H-H2O]+ 183.09222 135.5
[M+HCOO]- 245.09316 165.2
[M+CH3COO]- 259.10881 188.9
[M+Na-2H]- 221.06963 150.3
[M]+ 200.09441 142.9
[M]- 200.09551 142.9
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