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]+ 450.19991 205.8
[M+Na]+ 472.18185 209.7
[M-H]- 448.18535 209.9
[M+NH4]+ 467.22645 214.2
[M+K]+ 488.15579 204.7
[M+H-H2O]+ 432.18989 193.6
[M+HCOO]- 494.19083 221.2
[M+CH3COO]- 508.20648 235.5
[M+Na-2H]- 470.16730 202.6
[M]+ 449.19208 201.7
[M]- 449.19318 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.