CID 2920461

Brn 4192176

Structural Information

Molecular Formula
C12H14N2OS2
SMILES
CC1CCC2=C(C1)SC3=C2C(=O)N(C(=S)N3)C
InChI
InChI=1S/C12H14N2OS2/c1-6-3-4-7-8(5-6)17-10-9(7)11(15)14(2)12(16)13-10/h6H,3-5H2,1-2H3,(H,13,16)
InChIKey
BFMZVAGSDKNEJI-UHFFFAOYSA-N
Compound name
3,7-dimethyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

266.05475 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.06203 156.8
[M+Na]+ 289.04397 170.3
[M+NH4]+ 284.08857 166.1
[M+K]+ 305.01791 160.9
[M-H]- 265.04747 158.8
[M+Na-2H]- 287.02942 159.8
[M]+ 266.05420 160.2
[M]- 266.05530 160.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.