CID 172288

Alozafone

Structural Information

Molecular Formula
C21H21ClFN3O2
SMILES
CC(CC#N)N(C)CC(=O)N(C)C1=C(C=C(C=C1)Cl)C(=O)C2=CC=CC=C2F
InChI
InChI=1S/C21H21ClFN3O2/c1-14(10-11-24)25(2)13-20(27)26(3)19-9-8-15(22)12-17(19)21(28)16-6-4-5-7-18(16)23/h4-9,12,14H,10,13H2,1-3H3
InChIKey
JHGHHEGZWJNCAF-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(2-fluorobenzoyl)phenyl]-2-[1-cyanopropan-2-yl(methyl)amino]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
Patents

401.13065 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.137926 198.1
[M+Na]+ 424.119868 205.7
[M-H]- 400.123374 203.9
[M+NH4]+ 419.164473 208.8
[M+K]+ 440.093808 200.7
[M+H-H2O]+ 384.127910 182.6
[M+HCOO]- 446.128851 212.1
[M+CH3COO]- 460.144501 241.3
[M+Na-2H]- 422.105316 194.6
[M]+ 401.13010142 196.8
[M]- 401.13119858 196.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe