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-methyl-2-pyridinyl)-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]+ 317.068736 169.2
[M+Na]+ 339.050678 176.5
[M-H]- 315.054184 174.6
[M+NH4]+ 334.095283 182.4
[M+K]+ 355.024618 171.7
[M+H-H2O]+ 299.058720 161.3
[M+HCOO]- 361.059661 186.3
[M+CH3COO]- 375.075311 207.3
[M+Na-2H]- 337.036126 171.4
[M]+ 316.06091142 172.1
[M]- 316.06200858 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.