CID 3074499

3,4-dihydro-4-oxo-n-propyl-2(1h)-cinnolineacetamide

Structural Information

Molecular Formula
C13H17N3O2
SMILES
CCCNC(=O)CN1CC(=O)C2=CC=CC=C2N1
InChI
InChI=1S/C13H17N3O2/c1-2-7-14-13(18)9-16-8-12(17)10-5-3-4-6-11(10)15-16/h3-6,15H,2,7-9H2,1H3,(H,14,18)
InChIKey
KYAZYJLAOHSPOY-UHFFFAOYSA-N
Compound name
2-(4-oxo-1,3-dihydrocinnolin-2-yl)-N-propylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.13208 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.13936 157.0
[M+Na]+ 270.12130 162.9
[M-H]- 246.12480 156.7
[M+NH4]+ 265.16590 171.6
[M+K]+ 286.09524 158.7
[M+H-H2O]+ 230.12934 148.9
[M+HCOO]- 292.13028 173.9
[M+CH3COO]- 306.14593 194.3
[M+Na-2H]- 268.10675 161.8
[M]+ 247.13153 154.2
[M]- 247.13263 154.2
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.