CID 508862

N-[2-oxo-2-[[(3r)-1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide

Structural Information

Molecular Formula
C24H28F3N3O2
SMILES
CCCC1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)C(F)(F)F
InChI
InChI=1S/C24H28F3N3O2/c1-2-4-17-7-9-18(10-8-17)15-30-12-11-21(16-30)29-22(31)14-28-23(32)19-5-3-6-20(13-19)24(25,26)27/h3,5-10,13,21H,2,4,11-12,14-16H2,1H3,(H,28,32)(H,29,31)/t21-/m1/s1
InChIKey
WCSPMDVTPCSPTD-OAQYLSRUSA-N
Compound name
N-[2-oxo-2-[[(3R)-1-[(4-propylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

447.21335 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 448.22063 207.2
[M+Na]+ 470.20257 209.9
[M-H]- 446.20607 210.6
[M+NH4]+ 465.24717 215.4
[M+K]+ 486.17651 203.9
[M+H-H2O]+ 430.21061 194.6
[M+HCOO]- 492.21155 222.1
[M+CH3COO]- 506.22720 235.0
[M+Na-2H]- 468.18802 203.9
[M]+ 447.21280 201.6
[M]- 447.21390 201.6
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.