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]+ 351.13393 181.1
[M+Na]+ 373.11587 188.8
[M-H]- 349.11937 187.3
[M+NH4]+ 368.16047 194.0
[M+K]+ 389.08981 183.2
[M+H-H2O]+ 333.12391 172.0
[M+HCOO]- 395.12485 199.1
[M+CH3COO]- 409.14050 209.6
[M+Na-2H]- 371.10132 180.8
[M]+ 350.12610 180.9
[M]- 350.12720 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.