CID 14892875

2h-[1]benzothiopyrano[4,3-c]pyridazin-3(5h)-one

Structural Information

Molecular Formula
C11H8N2OS
SMILES
C1C2=CC(=O)NN=C2C3=CC=CC=C3S1
InChI
InChI=1S/C11H8N2OS/c14-10-5-7-6-15-9-4-2-1-3-8(9)11(7)13-12-10/h1-5H,6H2,(H,12,14)
InChIKey
SPDFCDUCLRSDFJ-UHFFFAOYSA-N
Compound name
2,5-dihydrothiochromeno[4,3-c]pyridazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

216.03574 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.043016 140.5
[M+Na]+ 239.024958 151.1
[M-H]- 215.028464 142.2
[M+NH4]+ 234.069563 158.6
[M+K]+ 254.998898 145.3
[M+H-H2O]+ 199.033000 133.8
[M+HCOO]- 261.033941 154.1
[M+CH3COO]- 275.049591 152.9
[M+Na-2H]- 237.010406 148.6
[M]+ 216.03519142 140.5
[M]- 216.03628858 140.5
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