CID 12899876

Schembl10674145

Structural Information

Molecular Formula
C12H13N3O4
SMILES
C1CN(C(=O)N1)C(=O)N[C@H](C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H13N3O4/c16-10(17)9(8-4-2-1-3-5-8)14-12(19)15-7-6-13-11(15)18/h1-5,9H,6-7H2,(H,13,18)(H,14,19)(H,16,17)/t9-/m1/s1
InChIKey
LUOIUYFHEOQSJK-SECBINFHSA-N
Compound name
(2R)-2-[(2-oxoimidazolidine-1-carbonyl)amino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

263.0906 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.097876 157.7
[M+Na]+ 286.079818 161.8
[M-H]- 262.083324 158.9
[M+NH4]+ 281.124423 170.8
[M+K]+ 302.053758 159.2
[M+H-H2O]+ 246.087860 149.6
[M+HCOO]- 308.088801 174.5
[M+CH3COO]- 322.104451 190.6
[M+Na-2H]- 284.065266 157.9
[M]+ 263.09005142 152.6
[M]- 263.09114858 152.6
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

patents stripe