CID 1915413

(s)-1-benzyl 2-(2,5-dioxopyrrolidin-1-yl) 5-oxopyrrolidine-1,2-dicarboxylate

Structural Information

Molecular Formula
C17H16N2O7
SMILES
C1CC(=O)N([C@@H]1C(=O)ON2C(=O)CCC2=O)C(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C17H16N2O7/c20-13-7-6-12(16(23)26-19-14(21)8-9-15(19)22)18(13)17(24)25-10-11-4-2-1-3-5-11/h1-5,12H,6-10H2/t12-/m0/s1
InChIKey
LZNYDJDSWANAND-LBPRGKRZSA-N
Compound name
1-O-benzyl 2-O-(2,5-dioxopyrrolidin-1-yl) (2S)-5-oxopyrrolidine-1,2-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

360.09576 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10304 177.9
[M+Na]+ 383.08498 183.4
[M-H]- 359.08848 185.3
[M+NH4]+ 378.12958 190.4
[M+K]+ 399.05892 182.0
[M+H-H2O]+ 343.09302 169.7
[M+HCOO]- 405.09396 196.0
[M+CH3COO]- 419.10961 209.3
[M+Na-2H]- 381.07043 173.6
[M]+ 360.09521 179.0
[M]- 360.09631 179.0
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