CID 77502

Otihsedaotzrgc-uhfffaoysa-n

Structural Information

Molecular Formula
C9H11N3OS4
SMILES
CCN1C(=O)C(=C2N(N=C(S2)SC)C)SC1=S
InChI
InChI=1S/C9H11N3OS4/c1-4-12-6(13)5(16-9(12)14)7-11(2)10-8(15-3)17-7/h4H2,1-3H3
InChIKey
OTIHSEDAOTZRGC-UHFFFAOYSA-N
Compound name
3-ethyl-5-(3-methyl-5-methylsulfanyl-1,3,4-thiadiazol-2-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.9785 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.98578 164.9
[M+Na]+ 327.96772 177.0
[M-H]- 303.97122 167.1
[M+NH4]+ 323.01232 180.8
[M+K]+ 343.94166 168.7
[M+H-H2O]+ 287.97576 161.2
[M+HCOO]- 349.97670 163.6
[M+CH3COO]- 363.99235 174.6
[M+Na-2H]- 325.95317 157.6
[M]+ 304.97795 164.0
[M]- 304.97905 164.0
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.