CID 248711

5509-75-1

Structural Information

Molecular Formula
C18H14Cl2N2O2S
SMILES
COC1=C(C(=O)N(N=C1)C2=CC=CC=C2)SCC3=CC(=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H14Cl2N2O2S/c1-24-16-10-21-22(13-5-3-2-4-6-13)18(23)17(16)25-11-12-7-8-14(19)15(20)9-12/h2-10H,11H2,1H3
InChIKey
VDCOTGMNPNVIKJ-UHFFFAOYSA-N
Compound name
4-[(3,4-dichlorophenyl)methylsulfanyl]-5-methoxy-2-phenylpyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

3
Patents

392.0153 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.02258 183.7
[M+Na]+ 415.00452 195.5
[M-H]- 391.00802 191.0
[M+NH4]+ 410.04912 194.7
[M+K]+ 430.97846 187.4
[M+H-H2O]+ 375.01256 174.9
[M+HCOO]- 437.01350 191.2
[M+CH3COO]- 451.02915 194.3
[M+Na-2H]- 412.98997 184.7
[M]+ 392.01475 191.8
[M]- 392.01585 191.8
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.