CID 368943

Nsc640348

Structural Information

Molecular Formula
C17H18ClNO4
SMILES
CC1=C(C=CC=C1Cl)NC(=O)C(=O)C2C(=O)CC(CC2=O)(C)C
InChI
InChI=1S/C17H18ClNO4/c1-9-10(18)5-4-6-11(9)19-16(23)15(22)14-12(20)7-17(2,3)8-13(14)21/h4-6,14H,7-8H2,1-3H3,(H,19,23)
InChIKey
NUAMTRNGAJRFMS-UHFFFAOYSA-N
Compound name
N-(3-chloro-2-methylphenyl)-2-(4,4-dimethyl-2,6-dioxocyclohexyl)-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.09244 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09972 171.4
[M+Na]+ 358.08166 179.6
[M-H]- 334.08516 178.4
[M+NH4]+ 353.12626 188.0
[M+K]+ 374.05560 175.4
[M+H-H2O]+ 318.08970 166.3
[M+HCOO]- 380.09064 186.7
[M+CH3COO]- 394.10629 212.6
[M+Na-2H]- 356.06711 170.9
[M]+ 335.09189 173.0
[M]- 335.09299 173.0
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.