CID 16077258

Chembl216704

Structural Information

Molecular Formula
C19H23F3N2O3
SMILES
COC1=CC(=CC(=C1)NC(=O)C2CC(=O)N(C2)C3CCCCC3)C(F)(F)F
InChI
InChI=1S/C19H23F3N2O3/c1-27-16-9-13(19(20,21)22)8-14(10-16)23-18(26)12-7-17(25)24(11-12)15-5-3-2-4-6-15/h8-10,12,15H,2-7,11H2,1H3,(H,23,26)
InChIKey
RQZXBHRQFMOWLL-UHFFFAOYSA-N
Compound name
1-cyclohexyl-N-[3-methoxy-5-(trifluoromethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

384.16608 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.17336 188.8
[M+Na]+ 407.15530 192.7
[M-H]- 383.15880 192.2
[M+NH4]+ 402.19990 200.0
[M+K]+ 423.12924 188.3
[M+H-H2O]+ 367.16334 177.6
[M+HCOO]- 429.16428 201.2
[M+CH3COO]- 443.17993 219.5
[M+Na-2H]- 405.14075 185.0
[M]+ 384.16553 180.4
[M]- 384.16663 180.4
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.