CID 504927

2,4-dioxo-4-[3-phenyl-n-(3-phenylpropyl)anilino]butanoic acid

Structural Information

Molecular Formula
C25H23NO4
SMILES
C1=CC=C(C=C1)CCCN(C2=CC=CC(=C2)C3=CC=CC=C3)C(=O)CC(=O)C(=O)O
InChI
InChI=1S/C25H23NO4/c27-23(25(29)30)18-24(28)26(16-8-11-19-9-3-1-4-10-19)22-15-7-14-21(17-22)20-12-5-2-6-13-20/h1-7,9-10,12-15,17H,8,11,16,18H2,(H,29,30)
InChIKey
ZEJMFSWCYPWQIH-UHFFFAOYSA-N
Compound name
2,4-dioxo-4-[3-phenyl-N-(3-phenylpropyl)anilino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.16272 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.17000 197.8
[M+Na]+ 424.15194 199.8
[M-H]- 400.15544 206.1
[M+NH4]+ 419.19654 206.5
[M+K]+ 440.12588 196.0
[M+H-H2O]+ 384.15998 187.1
[M+HCOO]- 446.16092 217.8
[M+CH3COO]- 460.17657 225.5
[M+Na-2H]- 422.13739 197.5
[M]+ 401.16217 198.4
[M]- 401.16327 198.4
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.