CID 91230

24738-19-0

Structural Information

Molecular Formula
C12H15N5OS2
SMILES
CCN1C(=CC=C2C(=O)N(C(=S)S2)CC=C)N(N=N1)C
InChI
InChI=1S/C12H15N5OS2/c1-4-8-16-11(18)9(20-12(16)19)6-7-10-15(3)13-14-17(10)5-2/h4,6-7H,1,5,8H2,2-3H3
InChIKey
VPLHQQNVZUTKLL-UHFFFAOYSA-N
Compound name
5-[2-(1-ethyl-4-methyltetrazol-5-ylidene)ethylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0718 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.07908 172.2
[M+Na]+ 332.06102 183.9
[M-H]- 308.06452 173.5
[M+NH4]+ 327.10562 186.0
[M+K]+ 348.03496 177.1
[M+H-H2O]+ 292.06906 165.7
[M+HCOO]- 354.07000 179.2
[M+CH3COO]- 368.08565 201.9
[M+Na-2H]- 330.04647 163.5
[M]+ 309.07125 173.9
[M]- 309.07235 173.9
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.