CID 102970

Carbobenzyloxy-l-proline p-nitrophenyl ester

Structural Information

Molecular Formula
C19H18N2O6
SMILES
C1CC(N(C1)C(=O)OCC2=CC=CC=C2)C(=O)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H18N2O6/c22-18(27-16-10-8-15(9-11-16)21(24)25)17-7-4-12-20(17)19(23)26-13-14-5-2-1-3-6-14/h1-3,5-6,8-11,17H,4,7,12-13H2
InChIKey
GXUFIJVKXYWCAO-UHFFFAOYSA-N
Compound name
1-O-benzyl 2-O-(4-nitrophenyl) pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

370.1165 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.12378 185.4
[M+Na]+ 393.10572 187.9
[M-H]- 369.10922 193.2
[M+NH4]+ 388.15032 195.7
[M+K]+ 409.07966 181.6
[M+H-H2O]+ 353.11376 180.0
[M+HCOO]- 415.11470 205.9
[M+CH3COO]- 429.13035 205.9
[M+Na-2H]- 391.09117 187.0
[M]+ 370.11595 183.7
[M]- 370.11705 183.7
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

patents stripe