CID 217794

39630-07-4

Structural Information

Molecular Formula
C22H25N3O3
SMILES
CC(C)(C)NC(=O)C1=CC=CC=C1NC(=O)C2CC(=O)N(C2)C3=CC=CC=C3
InChI
InChI=1S/C22H25N3O3/c1-22(2,3)24-21(28)17-11-7-8-12-18(17)23-20(27)15-13-19(26)25(14-15)16-9-5-4-6-10-16/h4-12,15H,13-14H2,1-3H3,(H,23,27)(H,24,28)
InChIKey
WCWFPHDGSXZDRC-UHFFFAOYSA-N
Compound name
N-[2-(tert-butylcarbamoyl)phenyl]-5-oxo-1-phenylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1896 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.19688 191.5
[M+Na]+ 402.17882 195.1
[M-H]- 378.18232 199.7
[M+NH4]+ 397.22342 202.7
[M+K]+ 418.15276 191.1
[M+H-H2O]+ 362.18686 182.3
[M+HCOO]- 424.18780 210.8
[M+CH3COO]- 438.20345 222.7
[M+Na-2H]- 400.16427 191.3
[M]+ 379.18905 189.3
[M]- 379.19015 189.3
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.