CID 508874

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

Structural Information

Molecular Formula
C23H26F3N3O3
SMILES
CC1=CC(=C(C=C1)CN2CC[C@H](C2)NC(=O)CNC(=O)C3=CC(=CC=C3)OC(F)(F)F)C
InChI
InChI=1S/C23H26F3N3O3/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
ZOEGUFKPDVXXSE-LJQANCHMSA-N
Compound name
N-[2-[[(3R)-1-[(2,4-dimethylphenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

449.19263 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 450.199906 205.8
[M+Na]+ 472.181848 209.7
[M-H]- 448.185354 209.9
[M+NH4]+ 467.226453 214.2
[M+K]+ 488.155788 204.7
[M+H-H2O]+ 432.189890 193.6
[M+HCOO]- 494.190831 221.2
[M+CH3COO]- 508.206481 235.5
[M+Na-2H]- 470.167296 202.6
[M]+ 449.19208142 201.7
[M]- 449.19317858 201.7
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.