CID 686562

4-amino-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydro-1,3-thiazole-5-carboxamide

Structural Information

Molecular Formula
C7H9N3OS2
SMILES
C=CCN1C(=C(SC1=S)C(=O)N)N
InChI
InChI=1S/C7H9N3OS2/c1-2-3-10-5(8)4(6(9)11)13-7(10)12/h2H,1,3,8H2,(H2,9,11)
InChIKey
RCNAPOFQSALVID-UHFFFAOYSA-N
Compound name
4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

0
Patents

215.0187 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.02598 143.3
[M+Na]+ 238.00792 153.0
[M-H]- 214.01142 145.2
[M+NH4]+ 233.05252 162.2
[M+K]+ 253.98186 147.1
[M+H-H2O]+ 198.01596 137.2
[M+HCOO]- 260.01690 156.7
[M+CH3COO]- 274.03255 188.9
[M+Na-2H]- 235.99337 140.4
[M]+ 215.01815 142.9
[M]- 215.01925 142.9
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.