CID 91977267

7536-45-0

Structural Information

Molecular Formula
C22H24N2O5
SMILES
C1C[C@H](N(C1)C(=O)OCC2=CC=CC=C2)C(=O)NCC(=O)OCC3=CC=CC=C3
InChI
InChI=1S/C22H24N2O5/c25-20(28-15-17-8-3-1-4-9-17)14-23-21(26)19-12-7-13-24(19)22(27)29-16-18-10-5-2-6-11-18/h1-6,8-11,19H,7,12-16H2,(H,23,26)/t19-/m0/s1
InChIKey
ABBUEKAIKQURGG-IBGZPJMESA-N
Compound name
benzyl (2S)-2-[(2-oxo-2-phenylmethoxyethyl)carbamoyl]pyrrolidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.16852 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.175796 194.2
[M+Na]+ 419.157738 195.7
[M-H]- 395.161244 201.3
[M+NH4]+ 414.202343 203.9
[M+K]+ 435.131678 193.0
[M+H-H2O]+ 379.165780 183.8
[M+HCOO]- 441.166721 213.3
[M+CH3COO]- 455.182371 219.1
[M+Na-2H]- 417.143186 192.6
[M]+ 396.16797142 194.2
[M]- 396.16906858 194.2
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.