CID 3062534

98326-38-6

Structural Information

Molecular Formula
C15H12N4O
SMILES
C1=CC(=CC=C1C2=NNC(=O)C=C2)NC3=CC=NC=C3
InChI
InChI=1S/C15H12N4O/c20-15-6-5-14(18-19-15)11-1-3-12(4-2-11)17-13-7-9-16-10-8-13/h1-10H,(H,16,17)(H,19,20)
InChIKey
NFQUZCPMNKGLCN-UHFFFAOYSA-N
Compound name
3-[4-(pyridin-4-ylamino)phenyl]-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

264.1011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.108376 159.3
[M+Na]+ 287.090318 167.7
[M-H]- 263.093824 164.0
[M+NH4]+ 282.134923 170.1
[M+K]+ 303.064258 160.7
[M+H-H2O]+ 247.098360 148.5
[M+HCOO]- 309.099301 180.4
[M+CH3COO]- 323.114951 170.0
[M+Na-2H]- 285.075766 168.2
[M]+ 264.10055142 156.5
[M]- 264.10164858 156.5
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

patents stripe