CID 508825

Benzamide, n-[2-[[(3r)-1-(1h-benzimidazol-2-ylmethyl)-3-pyrrolidinyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-

Structural Information

Molecular Formula
C22H22F3N5O2
SMILES
C1CN(C[C@@H]1NC(=O)CNC(=O)C2=CC(=CC=C2)C(F)(F)F)CC3=NC4=CC=CC=C4N3
InChI
InChI=1S/C22H22F3N5O2/c23-22(24,25)15-5-3-4-14(10-15)21(32)26-11-20(31)27-16-8-9-30(12-16)13-19-28-17-6-1-2-7-18(17)29-19/h1-7,10,16H,8-9,11-13H2,(H,26,32)(H,27,31)(H,28,29)/t16-/m1/s1
InChIKey
DTRBKHGRXGOTCR-MRXNPFEDSA-N
Compound name
N-[2-[[(3R)-1-(1H-benzimidazol-2-ylmethyl)pyrrolidin-3-yl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

445.17255 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17983 199.2
[M+Na]+ 468.16177 204.1
[M-H]- 444.16527 201.4
[M+NH4]+ 463.20637 207.0
[M+K]+ 484.13571 197.4
[M+H-H2O]+ 428.16981 186.8
[M+HCOO]- 490.17075 212.8
[M+CH3COO]- 504.18640 229.6
[M+Na-2H]- 466.14722 198.5
[M]+ 445.17200 193.8
[M]- 445.17310 193.8
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.