CID 3075422

180537-65-9

Structural Information

Molecular Formula
C16H13ClN2O3
SMILES
CC1=NC(=CC=C1)NC(=O)C(=O)CC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C16H13ClN2O3/c1-10-3-2-4-15(18-10)19-16(22)14(21)9-13(20)11-5-7-12(17)8-6-11/h2-8H,9H2,1H3,(H,18,19,22)
InChIKey
QTJZFULYPKHVSZ-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-N-(6-methylpyridin-2-yl)-2,4-dioxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.06146 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.06874 169.2
[M+Na]+ 339.05068 176.5
[M-H]- 315.05418 174.6
[M+NH4]+ 334.09528 182.4
[M+K]+ 355.02462 171.7
[M+H-H2O]+ 299.05872 161.3
[M+HCOO]- 361.05966 186.3
[M+CH3COO]- 375.07531 207.3
[M+Na-2H]- 337.03613 171.4
[M]+ 316.06091 172.1
[M]- 316.06201 172.1
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.