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]+ 265.10838 159.3
[M+Na]+ 287.09032 167.7
[M-H]- 263.09382 164.0
[M+NH4]+ 282.13492 170.1
[M+K]+ 303.06426 160.7
[M+H-H2O]+ 247.09836 148.5
[M+HCOO]- 309.09930 180.4
[M+CH3COO]- 323.11495 170.0
[M+Na-2H]- 285.07577 168.2
[M]+ 264.10055 156.5
[M]- 264.10165 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