CID 47002357

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

Structural Information

Molecular Formula
C7H7N3S2
SMILES
C=CCN1C(=C(SC1=S)C#N)N
InChI
InChI=1S/C7H7N3S2/c1-2-3-10-6(9)5(4-8)12-7(10)11/h2H,1,3,9H2
InChIKey
XEZSZCKVEZGVGM-UHFFFAOYSA-N
Compound name
4-amino-3-prop-2-enyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.00813 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.01541 146.5
[M+Na]+ 219.99735 159.2
[M-H]- 196.00085 149.8
[M+NH4]+ 215.04195 165.3
[M+K]+ 235.97129 154.8
[M+H-H2O]+ 180.00539 134.4
[M+HCOO]- 242.00633 157.4
[M+CH3COO]- 256.02198 195.7
[M+Na-2H]- 217.98280 144.9
[M]+ 197.00758 143.0
[M]- 197.00868 143.0
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.