CID 327473

4-amino-5-cyano-2,3-dihydro-3-phenyl-2-thioxothiazole

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
2
Annotation Hits

3
References

7
Patents

233.00813 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.015406 158.2
[M+Na]+ 255.997348 171.6
[M-H]- 232.000854 163.8
[M+NH4]+ 251.041953 175.5
[M+K]+ 271.971288 165.3
[M+H-H2O]+ 216.005390 145.5
[M+HCOO]- 278.006331 169.7
[M+CH3COO]- 292.021981 169.5
[M+Na-2H]- 253.982796 157.3
[M]+ 233.00758142 154.1
[M]- 233.00867858 154.1
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