CID 504937

N-(3,4-dichloro-benzyl)-2-oxo-n-phenyl-succinamic acid

Structural Information

Molecular Formula
C17H13Cl2NO4
SMILES
C1=CC=C(C=C1)N(CC2=CC(=C(C=C2)Cl)Cl)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C17H13Cl2NO4/c18-13-7-6-11(8-14(13)19)10-20(12-4-2-1-3-5-12)16(22)9-15(21)17(23)24/h1-8H,9-10H2,(H,23,24)
InChIKey
JBHZTLRRQQDQQR-UHFFFAOYSA-N
Compound name
4-[N-[(3,4-dichlorophenyl)methyl]anilino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.02216 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.02944 176.4
[M+Na]+ 388.01138 183.4
[M-H]- 364.01488 182.6
[M+NH4]+ 383.05598 189.5
[M+K]+ 403.98532 178.6
[M+H-H2O]+ 348.01942 170.4
[M+HCOO]- 410.02036 189.0
[M+CH3COO]- 424.03601 214.7
[M+Na-2H]- 385.99683 176.5
[M]+ 365.02161 181.8
[M]- 365.02271 181.8
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.