CID 16077260

Chembl217616

Structural Information

Molecular Formula
C18H23BrN2O2
SMILES
CC1=C(C=C(C=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3)Br
InChI
InChI=1S/C18H23BrN2O2/c1-12-7-8-14(10-16(12)19)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)
InChIKey
UDJVJVYZYXROOI-UHFFFAOYSA-N
Compound name
N-(3-bromo-4-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

378.0943 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.10158 185.7
[M+Na]+ 401.08352 192.4
[M-H]- 377.08702 195.3
[M+NH4]+ 396.12812 201.2
[M+K]+ 417.05746 180.3
[M+H-H2O]+ 361.09156 183.2
[M+HCOO]- 423.09250 200.9
[M+CH3COO]- 437.10815 214.7
[M+Na-2H]- 399.06897 183.9
[M]+ 378.09375 198.3
[M]- 378.09485 198.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.