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
1
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]+ 402.13793 198.1
[M+Na]+ 424.11987 205.7
[M-H]- 400.12337 203.9
[M+NH4]+ 419.16447 208.8
[M+K]+ 440.09381 200.7
[M+H-H2O]+ 384.12791 182.6
[M+HCOO]- 446.12885 212.1
[M+CH3COO]- 460.14450 241.3
[M+Na-2H]- 422.10532 194.6
[M]+ 401.13010 196.8
[M]- 401.13120 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.