CID 4961760

2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetic acid

Structural Information

Molecular Formula
C14H16N2O4
SMILES
CC1(C(=O)N(C(=O)N1)CC(=O)O)CCC2=CC=CC=C2
InChI
InChI=1S/C14H16N2O4/c1-14(8-7-10-5-3-2-4-6-10)12(19)16(9-11(17)18)13(20)15-14/h2-6H,7-9H2,1H3,(H,15,20)(H,17,18)
InChIKey
FTBZCZWMXKUMDB-UHFFFAOYSA-N
Compound name
2-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

276.111 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.118276 161.5
[M+Na]+ 299.100218 169.0
[M-H]- 275.103724 163.1
[M+NH4]+ 294.144823 177.1
[M+K]+ 315.074158 165.0
[M+H-H2O]+ 259.108260 154.6
[M+HCOO]- 321.109201 178.5
[M+CH3COO]- 335.124851 192.8
[M+Na-2H]- 297.085666 162.4
[M]+ 276.11045142 160.4
[M]- 276.11154858 160.4
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.