CID 12316099

24737-91-5

Structural Information

Molecular Formula
C14H10N2O
SMILES
C1=CC=C2C=C(C=CC2=C1)C3=NNC(=O)C=C3
InChI
InChI=1S/C14H10N2O/c17-14-8-7-13(15-16-14)12-6-5-10-3-1-2-4-11(10)9-12/h1-9H,(H,16,17)
InChIKey
WGLIXRXOERJHDG-UHFFFAOYSA-N
Compound name
3-naphthalen-2-yl-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

222.07932 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.086596 147.4
[M+Na]+ 245.068538 157.3
[M-H]- 221.072044 151.4
[M+NH4]+ 240.113143 163.2
[M+K]+ 261.042478 151.1
[M+H-H2O]+ 205.076580 138.7
[M+HCOO]- 267.077521 167.8
[M+CH3COO]- 281.093171 159.8
[M+Na-2H]- 243.053986 156.9
[M]+ 222.07877142 145.8
[M]- 222.07986858 145.8
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

patents stripe