CID 362374

Nsc626118

Structural Information

Molecular Formula
C11H12N2OS2
SMILES
CC1(CC2=C(C3=C1C(=O)CCS3)SN=N2)C
InChI
InChI=1S/C11H12N2OS2/c1-11(2)5-6-9(16-13-12-6)10-8(11)7(14)3-4-15-10/h3-5H2,1-2H3
InChIKey
ZBUFHXOEAZXJTM-UHFFFAOYSA-N
Compound name
5,5-dimethyl-7,8-dihydro-4H-thiopyrano[3,2-g][1,2,3]benzothiadiazol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.03911 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.04639 149.9
[M+Na]+ 275.02833 160.8
[M-H]- 251.03183 152.5
[M+NH4]+ 270.07293 171.6
[M+K]+ 291.00227 156.3
[M+H-H2O]+ 235.03637 145.1
[M+HCOO]- 297.03731 157.6
[M+CH3COO]- 311.05296 162.0
[M+Na-2H]- 273.01378 152.7
[M]+ 252.03856 152.0
[M]- 252.03966 152.0
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.