CID 468478

Chembl95174

Structural Information

Molecular Formula
C18H24N2O4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)N2CCC(=O)C2
InChI
InChI=1S/C18H24N2O4/c1-18(2,3)24-17(23)19-15(11-13-7-5-4-6-8-13)16(22)20-10-9-14(21)12-20/h4-8,15H,9-12H2,1-3H3,(H,19,23)/t15-/m0/s1
InChIKey
HBWZHFLQZRQIHA-HNNXBMFYSA-N
Compound name
tert-butyl N-[(2S)-1-oxo-1-(3-oxopyrrolidin-1-yl)-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

10
Patents

332.1736 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.18088 179.9
[M+Na]+ 355.16282 182.9
[M-H]- 331.16632 184.5
[M+NH4]+ 350.20742 193.3
[M+K]+ 371.13676 181.3
[M+H-H2O]+ 315.17086 172.1
[M+HCOO]- 377.17180 197.4
[M+CH3COO]- 391.18745 209.4
[M+Na-2H]- 353.14827 179.0
[M]+ 332.17305 179.5
[M]- 332.17415 179.5
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.