CID 504942

N-benzyl-2-oxo-n-phenyl-succinamic acid

Structural Information

Molecular Formula
C17H15NO4
SMILES
C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C17H15NO4/c19-15(17(21)22)11-16(20)18(14-9-5-2-6-10-14)12-13-7-3-1-4-8-13/h1-10H,11-12H2,(H,21,22)
InChIKey
AKAGAPUAYYDFIF-UHFFFAOYSA-N
Compound name
4-(N-benzylanilino)-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.10738 167.8
[M+Na]+ 320.08932 171.6
[M-H]- 296.09282 173.8
[M+NH4]+ 315.13392 181.3
[M+K]+ 336.06326 169.7
[M+H-H2O]+ 280.09736 159.3
[M+HCOO]- 342.09830 189.6
[M+CH3COO]- 356.11395 204.6
[M+Na-2H]- 318.07477 169.9
[M]+ 297.09955 168.2
[M]- 297.10065 168.2
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.