CID 2883437

Oprea1_245536

Structural Information

Molecular Formula
C17H21BrN2O2
SMILES
C1CCC(CC1)N2CC(CC2=O)C(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C17H21BrN2O2/c18-13-6-8-14(9-7-13)19-17(22)12-10-16(21)20(11-12)15-4-2-1-3-5-15/h6-9,12,15H,1-5,10-11H2,(H,19,22)
InChIKey
ONVMFEWMTPDURR-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

364.07864 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08592 181.3
[M+Na]+ 387.06786 187.6
[M-H]- 363.07136 190.7
[M+NH4]+ 382.11246 197.1
[M+K]+ 403.04180 175.8
[M+H-H2O]+ 347.07590 178.9
[M+HCOO]- 409.07684 196.8
[M+CH3COO]- 423.09249 210.7
[M+Na-2H]- 385.05331 180.6
[M]+ 364.07809 193.2
[M]- 364.07919 193.2
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.