CID 14892875

9-thia-3,4-diazatricyclo[8.4.0.0,2,7]tetradeca-1(14),2,6,10,12-pentaen-5-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]+ 217.04302 140.5
[M+Na]+ 239.02496 151.1
[M-H]- 215.02846 142.2
[M+NH4]+ 234.06956 158.6
[M+K]+ 254.99890 145.3
[M+H-H2O]+ 199.03300 133.8
[M+HCOO]- 261.03394 154.1
[M+CH3COO]- 275.04959 152.9
[M+Na-2H]- 237.01041 148.6
[M]+ 216.03519 140.5
[M]- 216.03629 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