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]+ 277.11828 161.5
[M+Na]+ 299.10022 169.0
[M-H]- 275.10372 163.1
[M+NH4]+ 294.14482 177.1
[M+K]+ 315.07416 165.0
[M+H-H2O]+ 259.10826 154.6
[M+HCOO]- 321.10920 178.5
[M+CH3COO]- 335.12485 192.8
[M+Na-2H]- 297.08567 162.4
[M]+ 276.11045 160.4
[M]- 276.11155 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.