CID 503987

Acetamide, n-(2-amino-4-methyl-7-quinolinyl)-

Structural Information

Molecular Formula
C12H13N3O
SMILES
CC1=CC(=NC2=C1C=CC(=C2)NC(=O)C)N
InChI
InChI=1S/C12H13N3O/c1-7-5-12(13)15-11-6-9(14-8(2)16)3-4-10(7)11/h3-6H,1-2H3,(H2,13,15)(H,14,16)
InChIKey
AABZTKXTYXEJJZ-UHFFFAOYSA-N
Compound name
N-(2-amino-4-methylquinolin-7-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

215.10587 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.11315 147.3
[M+Na]+ 238.09509 156.0
[M-H]- 214.09859 150.7
[M+NH4]+ 233.13969 165.3
[M+K]+ 254.06903 152.5
[M+H-H2O]+ 198.10313 140.1
[M+HCOO]- 260.10407 170.3
[M+CH3COO]- 274.11972 194.6
[M+Na-2H]- 236.08054 153.6
[M]+ 215.10532 146.4
[M]- 215.10642 146.4
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

No patent data available for this compound.