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]+ 397.17580 194.2
[M+Na]+ 419.15774 195.7
[M-H]- 395.16124 201.3
[M+NH4]+ 414.20234 203.9
[M+K]+ 435.13168 193.0
[M+H-H2O]+ 379.16578 183.8
[M+HCOO]- 441.16672 213.3
[M+CH3COO]- 455.18237 219.1
[M+Na-2H]- 417.14319 192.6
[M]+ 396.16797 194.2
[M]- 396.16907 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.