CID 326473

59961-21-6

Structural Information

Molecular Formula
C10H8N2OS
SMILES
C1C2=CC=CC=C2C3=C(S1)C(=O)NN3
InChI
InChI=1S/C10H8N2OS/c13-10-9-8(11-12-10)7-4-2-1-3-6(7)5-14-9/h1-4H,5H2,(H2,11,12,13)
InChIKey
BFCDYINZMSUEHZ-UHFFFAOYSA-N
Compound name
2,5-dihydro-1H-isothiochromeno[4,3-c]pyrazol-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.03574 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.04302 138.8
[M+Na]+ 227.02496 149.7
[M-H]- 203.02846 139.7
[M+NH4]+ 222.06956 158.9
[M+K]+ 242.99890 143.7
[M+H-H2O]+ 187.03300 133.5
[M+HCOO]- 249.03394 152.2
[M+CH3COO]- 263.04959 151.3
[M+Na-2H]- 225.01041 144.0
[M]+ 204.03519 137.8
[M]- 204.03629 137.8
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.