CID 327473

13251-19-9

Structural Information

Molecular Formula
C10H7N3S2
SMILES
C1=CC=C(C=C1)N2C(=C(SC2=S)C#N)N
InChI
InChI=1S/C10H7N3S2/c11-6-8-9(12)13(10(14)15-8)7-4-2-1-3-5-7/h1-5H,12H2
InChIKey
SSNKVURLRWLXES-UHFFFAOYSA-N
Compound name
4-amino-3-phenyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

233.00813 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.01541 141.1
[M+Na]+ 255.99735 152.9
[M+NH4]+ 251.04195 146.8
[M+K]+ 271.97129 142.0
[M-H]- 232.00085 138.1
[M+Na-2H]- 253.98280 145.6
[M]+ 233.00758 141.9
[M]- 233.00868 141.9
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

patents stripe