CID 504939

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

Structural Information

Molecular Formula
C19H19NO4
SMILES
C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C19H19NO4/c21-17(19(23)24)13-18(22)20(14-16-9-5-2-6-10-16)12-11-15-7-3-1-4-8-15/h1-10H,11-14H2,(H,23,24)
InChIKey
PLEFBZNHMBKNKC-UHFFFAOYSA-N
Compound name
4-[benzyl(2-phenylethyl)amino]-2,4-dioxobutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

325.1314 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 177.1
[M+Na]+ 348.12062 179.9
[M-H]- 324.12412 182.7
[M+NH4]+ 343.16522 189.4
[M+K]+ 364.09456 177.6
[M+H-H2O]+ 308.12866 168.2
[M+HCOO]- 370.12960 198.1
[M+CH3COO]- 384.14525 210.5
[M+Na-2H]- 346.10607 178.1
[M]+ 325.13085 178.1
[M]- 325.13195 178.1
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.