CID 83596

5-amino-2-phenylpyridazin-3(2h)-one

Structural Information

Molecular Formula
C10H9N3O
SMILES
C1=CC=C(C=C1)N2C(=O)C=C(C=N2)N
InChI
InChI=1S/C10H9N3O/c11-8-6-10(14)13(12-7-8)9-4-2-1-3-5-9/h1-7H,11H2
InChIKey
FSMPZHMHKJEXDT-UHFFFAOYSA-N
Compound name
5-amino-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

16
Patents

187.07455 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.081826 138.0
[M+Na]+ 210.063768 147.7
[M-H]- 186.067274 142.3
[M+NH4]+ 205.108373 154.5
[M+K]+ 226.037708 143.7
[M+H-H2O]+ 170.071810 129.6
[M+HCOO]- 232.072751 161.9
[M+CH3COO]- 246.088401 151.3
[M+Na-2H]- 208.049216 146.3
[M]+ 187.07400142 136.5
[M]- 187.07509858 136.5
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