CID 853482

3397-33-9

Structural Information

Molecular Formula
C17H18N2O6
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)ON3C(=O)CCC3=O
InChI
InChI=1S/C17H18N2O6/c20-14-8-9-15(21)19(14)25-16(22)13-7-4-10-18(13)17(23)24-11-12-5-2-1-3-6-12/h1-3,5-6,13H,4,7-11H2/t13-/m0/s1
InChIKey
BDNYCEKWUBRCBJ-ZDUSSCGKSA-N
Compound name
1-O-benzyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-pyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

346.1165 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.123776 177.4
[M+Na]+ 369.105718 182.1
[M-H]- 345.109224 184.4
[M+NH4]+ 364.150323 190.5
[M+K]+ 385.079658 180.5
[M+H-H2O]+ 329.113760 168.9
[M+HCOO]- 391.114701 195.3
[M+CH3COO]- 405.130351 206.5
[M+Na-2H]- 367.091166 173.3
[M]+ 346.11595142 177.4
[M]- 346.11704858 177.4
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

patents stripe