CID 508882

Benzamide, n-[2-[[(3r)-1-[(2,4-dimethylphenyl)methyl]-3-pyrrolidinyl]amino]-2-oxoethyl]-3-[(trifluoromethyl)thio]-

Structural Information

Molecular Formula
C23H26F3N3O2S
SMILES
CC1=CC(=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)SC(F)(F)F)C
InChI
InChI=1S/C23H26F3N3O2S/c1-15-6-7-18(16(2)10-15)13-29-9-8-19(14-29)28-21(30)12-27-22(31)17-4-3-5-20(11-17)32-23(24,25)26/h3-7,10-11,19H,8-9,12-14H2,1-2H3,(H,27,31)(H,28,30)/t19-/m1/s1
InChIKey
MMDNFQCOPJFOBS-LJQANCHMSA-N
Compound name
N-[2-[[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethylsulfanyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

465.16977 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 466.17705 208.9
[M+Na]+ 488.15899 213.2
[M-H]- 464.16249 212.7
[M+NH4]+ 483.20359 217.4
[M+K]+ 504.13293 206.6
[M+H-H2O]+ 448.16703 197.3
[M+HCOO]- 510.16797 219.3
[M+CH3COO]- 524.18362 236.6
[M+Na-2H]- 486.14444 203.9
[M]+ 465.16922 206.1
[M]- 465.17032 206.1
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.