CID 3076357

1-imidazolidineacetic acid, 2,5-dioxo-4,4-diphenyl-3-(phenylmethyl)-

Structural Information

Molecular Formula
C24H20N2O4
SMILES
C1=CC=C(C=C1)CN2C(=O)N(C(=O)C2(C3=CC=CC=C3)C4=CC=CC=C4)CC(=O)O
InChI
InChI=1S/C24H20N2O4/c27-21(28)17-25-22(29)24(19-12-6-2-7-13-19,20-14-8-3-9-15-20)26(23(25)30)16-18-10-4-1-5-11-18/h1-15H,16-17H2,(H,27,28)
InChIKey
YKLVYVMWCCQRLI-UHFFFAOYSA-N
Compound name
2-(3-benzyl-2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.1423 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.14958 195.6
[M+Na]+ 423.13152 202.2
[M-H]- 399.13502 204.6
[M+NH4]+ 418.17612 205.6
[M+K]+ 439.10546 196.1
[M+H-H2O]+ 383.13956 184.4
[M+HCOO]- 445.14050 213.0
[M+CH3COO]- 459.15615 204.4
[M+Na-2H]- 421.11697 195.1
[M]+ 400.14175 194.6
[M]- 400.14285 194.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.