CID 4961760

956986-31-5

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 163.8
[M+Na]+ 299.10022 173.3
[M+NH4]+ 294.14482 169.7
[M+K]+ 315.07416 169.1
[M-H]- 275.10372 162.9
[M+Na-2H]- 297.08567 168.1
[M]+ 276.11045 164.5
[M]- 276.11155 164.5
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.