CID 508875

Benzamide, n-[2-[[(3r)-1-[[4-(1-methylethyl)phenyl]methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethoxy)-

Structural Information

Molecular Formula
C24H28F3N3O3
SMILES
CC(C)C1=CC=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)OC(F)(F)F
InChI
InChI=1S/C24H28F3N3O3/c1-16(2)18-8-6-17(7-9-18)14-30-11-10-20(15-30)29-22(31)13-28-23(32)19-4-3-5-21(12-19)33-24(25,26)27/h3-9,12,16,20H,10-11,13-15H2,1-2H3,(H,28,32)(H,29,31)/t20-/m1/s1
InChIKey
RHPGLBHWPPRVKK-HXUWFJFHSA-N
Compound name
N-[2-oxo-2-[[(3R)-1-[(4-propan-2-ylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

463.20828 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 464.21556 209.4
[M+Na]+ 486.19750 211.6
[M-H]- 462.20100 213.0
[M+NH4]+ 481.24210 216.8
[M+K]+ 502.17144 207.1
[M+H-H2O]+ 446.20554 197.0
[M+HCOO]- 508.20648 223.5
[M+CH3COO]- 522.22213 238.0
[M+Na-2H]- 484.18295 205.4
[M]+ 463.20773 204.7
[M]- 463.20883 204.7
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.