CID 3076356

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

Structural Information

Molecular Formula
C20H18N2O4
SMILES
C=CCN1C(=O)N(C(=O)C1(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)O
InChI
InChI=1S/C20H18N2O4/c1-2-13-22-19(26)21(14-17(23)24)18(25)20(22,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h2-12H,1,13-14H2,(H,23,24)
InChIKey
GMHKMUQTURLWOB-UHFFFAOYSA-N
Compound name
2-(2,5-dioxo-4,4-diphenyl-3-prop-2-enylimidazolidin-1-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.12665 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.133926 181.1
[M+Na]+ 373.115868 188.8
[M-H]- 349.119374 187.3
[M+NH4]+ 368.160473 194.0
[M+K]+ 389.089808 183.2
[M+H-H2O]+ 333.123910 172.0
[M+HCOO]- 395.124851 199.1
[M+CH3COO]- 409.140501 209.6
[M+Na-2H]- 371.101316 180.8
[M]+ 350.12610142 180.9
[M]- 350.12719858 180.9
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.