CID 688196

(s)-(-)-2-oxo-1,5-imidazolidinedicarboxylic acid 1-benzyl ester

Structural Information

Molecular Formula
C12H12N2O5
SMILES
C1[C@H](N(C(=O)N1)C(=O)OCC2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C12H12N2O5/c15-10(16)9-6-13-11(17)14(9)12(18)19-7-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,13,17)(H,15,16)/t9-/m0/s1
InChIKey
AYSUEIZKNBGWGN-VIFPVBQESA-N
Compound name
(4S)-2-oxo-3-phenylmethoxycarbonylimidazolidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

160
Patents

264.07462 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.08190 156.7
[M+Na]+ 287.06384 162.8
[M-H]- 263.06734 158.1
[M+NH4]+ 282.10844 170.4
[M+K]+ 303.03778 160.2
[M+H-H2O]+ 247.07188 148.9
[M+HCOO]- 309.07282 173.6
[M+CH3COO]- 323.08847 187.9
[M+Na-2H]- 285.04929 156.9
[M]+ 264.07407 154.7
[M]- 264.07517 154.7
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.