CID 1915413

40291-26-7

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 181.0
[M+Na]+ 383.08498 188.5
[M+NH4]+ 378.12958 184.1
[M+K]+ 399.05892 189.7
[M-H]- 359.08848 180.6
[M+Na-2H]- 381.07043 182.8
[M]+ 360.09521 181.1
[M]- 360.09631 181.1
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