CID 68889

Amipizone

Structural Information

Molecular Formula
C14H16ClN3O2
SMILES
CC1CC(=O)NN=C1C2=CC=C(C=C2)NC(=O)C(C)Cl
InChI
InChI=1S/C14H16ClN3O2/c1-8-7-12(19)17-18-13(8)10-3-5-11(6-4-10)16-14(20)9(2)15/h3-6,8-9H,7H2,1-2H3,(H,16,20)(H,17,19)
InChIKey
NQWQBGBWCJSARZ-UHFFFAOYSA-N
Compound name
2-chloro-N-[4-(4-methyl-6-oxo-4,5-dihydro-1H-pyridazin-3-yl)phenyl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

127
Patents

293.0931 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.10038 166.1
[M+Na]+ 316.08232 172.9
[M-H]- 292.08582 168.5
[M+NH4]+ 311.12692 178.6
[M+K]+ 332.05626 167.4
[M+H-H2O]+ 276.09036 158.1
[M+HCOO]- 338.09130 178.7
[M+CH3COO]- 352.10695 201.4
[M+Na-2H]- 314.06777 167.4
[M]+ 293.09255 164.3
[M]- 293.09365 164.3
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