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]+ 198.015406 146.5
[M+Na]+ 219.997348 159.2
[M-H]- 196.000854 149.8
[M+NH4]+ 215.041953 165.3
[M+K]+ 235.971288 154.8
[M+H-H2O]+ 180.005390 134.4
[M+HCOO]- 242.006331 157.4
[M+CH3COO]- 256.021981 195.7
[M+Na-2H]- 217.982796 144.9
[M]+ 197.00758142 143.0
[M]- 197.00867858 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.