CID 508733

Benzamide, n-[3-[[(3r)-1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]amino]-3-oxopropyl]-4-(trifluoromethoxy)-

Structural Information

Molecular Formula
C22H23ClF3N3O3
SMILES
C1CN(C[C@@H]1NC(=O)CCNC(=O)C2=CC=C(C=C2)OC(F)(F)F)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H23ClF3N3O3/c23-17-5-1-15(2-6-17)13-29-12-10-18(14-29)28-20(30)9-11-27-21(31)16-3-7-19(8-4-16)32-22(24,25)26/h1-8,18H,9-14H2,(H,27,31)(H,28,30)/t18-/m1/s1
InChIKey
AFQBACKAKHDNSH-GOSISDBHSA-N
Compound name
N-[3-[[(3R)-1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]amino]-3-oxopropyl]-4-(trifluoromethoxy)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.138 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.14528 207.2
[M+Na]+ 492.12722 211.5
[M-H]- 468.13072 210.9
[M+NH4]+ 487.17182 215.4
[M+K]+ 508.10116 205.0
[M+H-H2O]+ 452.13526 195.3
[M+HCOO]- 514.13620 218.6
[M+CH3COO]- 528.15185 234.6
[M+Na-2H]- 490.11267 204.8
[M]+ 469.13745 205.0
[M]- 469.13855 205.0
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.