CID 508848

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

Structural Information

Molecular Formula
C21H23F3N4O2
SMILES
C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=CC=C(C=C3)N
InChI
InChI=1S/C21H23F3N4O2/c22-21(23,24)16-3-1-2-15(10-16)20(30)26-11-19(29)27-18-8-9-28(13-18)12-14-4-6-17(25)7-5-14/h1-7,10,18H,8-9,11-13,25H2,(H,26,30)(H,27,29)/t18-/m1/s1
InChIKey
ZCTJGNUOTWMXCO-GOSISDBHSA-N
Compound name
N-[2-[[(3R)-1-[(4-aminophenyl)methyl]pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1773 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.18458 196.0
[M+Na]+ 443.16652 199.2
[M-H]- 419.17002 199.6
[M+NH4]+ 438.21112 204.8
[M+K]+ 459.14046 193.8
[M+H-H2O]+ 403.17456 183.8
[M+HCOO]- 465.17550 212.5
[M+CH3COO]- 479.19115 231.0
[M+Na-2H]- 441.15197 194.2
[M]+ 420.17675 188.0
[M]- 420.17785 188.0
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.