CID 508886

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

Structural Information

Molecular Formula
C24H28F3N3O2S
SMILES
CC1=CC(=C(C=C1C)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)SC(F)(F)F)C
InChI
InChI=1S/C24H28F3N3O2S/c1-15-9-17(3)19(10-16(15)2)13-30-8-7-20(14-30)29-22(31)12-28-23(32)18-5-4-6-21(11-18)33-24(25,26)27/h4-6,9-11,20H,7-8,12-14H2,1-3H3,(H,28,32)(H,29,31)/t20-/m1/s1
InChIKey
YHACTFQGFAFATL-HXUWFJFHSA-N
Compound name
N-[2-oxo-2-[[(3R)-1-[(2,4,5-trimethylphenyl)methyl]pyrrolidin-3-yl]amino]ethyl]-3-(trifluoromethylsulfanyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

479.18542 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 480.19270 213.6
[M+Na]+ 502.17464 218.2
[M-H]- 478.17814 217.6
[M+NH4]+ 497.21924 221.8
[M+K]+ 518.14858 211.5
[M+H-H2O]+ 462.18268 202.1
[M+HCOO]- 524.18362 223.5
[M+CH3COO]- 538.19927 240.8
[M+Na-2H]- 500.16009 207.5
[M]+ 479.18487 211.5
[M]- 479.18597 211.5
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.