CID 508872

3-fluoro-n-[2-oxo-2-[[(3r)-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H27F4N3O2
SMILES
CC1=CC(=C(C=C1C)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC(=C3)F)C(F)(F)F)C
InChI
InChI=1S/C24H27F4N3O2/c1-14-6-16(3)18(7-15(14)2)12-31-5-4-21(13-31)30-22(32)11-29-23(33)17-8-19(24(26,27)28)10-20(25)9-17/h6-10,21H,4-5,11-13H2,1-3H3,(H,29,33)(H,30,32)/t21-/m1/s1
InChIKey
YQLIVWZOQTYDBN-OAQYLSRUSA-N
Compound name
3-fluoro-N-[2-oxo-2-[[(3R)-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-5-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.20395 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.21123 211.5
[M+Na]+ 488.19317 217.0
[M-H]- 464.19667 214.8
[M+NH4]+ 483.23777 219.8
[M+K]+ 504.16711 210.8
[M+H-H2O]+ 448.20121 198.9
[M+HCOO]- 510.20215 225.2
[M+CH3COO]- 524.21780 241.5
[M+Na-2H]- 486.17862 205.5
[M]+ 465.20340 206.0
[M]- 465.20450 206.0
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.