CID 899318

132605-19-7

Structural Information

Molecular Formula
C10H10N2OS2
SMILES
CN1C(=O)C2=C(NC1=S)SC3=C2CCC3
InChI
InChI=1S/C10H10N2OS2/c1-12-9(13)7-5-3-2-4-6(5)15-8(7)11-10(12)14/h2-4H2,1H3,(H,11,14)
InChIKey
VUNKMNQMFCSUJN-UHFFFAOYSA-N
Compound name
11-methyl-10-sulfanylidene-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-12-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

238.02345 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.03073 147.7
[M+Na]+ 261.01267 162.5
[M-H]- 237.01617 151.2
[M+NH4]+ 256.05727 170.1
[M+K]+ 276.98661 156.5
[M+H-H2O]+ 221.02071 144.5
[M+HCOO]- 283.02165 159.7
[M+CH3COO]- 297.03730 161.5
[M+Na-2H]- 258.99812 148.0
[M]+ 238.02290 152.5
[M]- 238.02400 152.5
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

No patent data available for this compound.