CID 248716

4-(benzylthio)-5-ethoxy-2-phenyl-3(2h)-pyridazinone

Structural Information

Molecular Formula
C19H18N2O2S
SMILES
CCOC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC=CC=C3
InChI
InChI=1S/C19H18N2O2S/c1-2-23-17-13-20-21(16-11-7-4-8-12-16)19(22)18(17)24-14-15-9-5-3-6-10-15/h3-13H,2,14H2,1H3
InChIKey
SPHYEGOGWPUGBP-UHFFFAOYSA-N
Compound name
4-benzylsulfanyl-5-ethoxy-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1089 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.11618 178.5
[M+Na]+ 361.09812 187.6
[M-H]- 337.10162 185.8
[M+NH4]+ 356.14272 189.7
[M+K]+ 377.07206 180.8
[M+H-H2O]+ 321.10616 168.1
[M+HCOO]- 383.10710 195.5
[M+CH3COO]- 397.12275 189.1
[M+Na-2H]- 359.08357 181.4
[M]+ 338.10835 182.8
[M]- 338.10945 182.8
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

No patent data available for this compound.