CID 404452

Nsc720658

Structural Information

Molecular Formula
C16H11N3OS2
SMILES
C1=CC=C(C=C1)N2C(=C(SC2=S)C3=NC4=CC=CC=C4O3)N
InChI
InChI=1S/C16H11N3OS2/c17-14-13(15-18-11-8-4-5-9-12(11)20-15)22-16(21)19(14)10-6-2-1-3-7-10/h1-9H,17H2
InChIKey
GZFRBQCFZJEAIG-UHFFFAOYSA-N
Compound name
4-amino-5-(1,3-benzoxazol-2-yl)-3-phenyl-1,3-thiazole-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

325.03436 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.04164 170.4
[M+Na]+ 348.02358 185.1
[M-H]- 324.02708 181.2
[M+NH4]+ 343.06818 186.8
[M+K]+ 363.99752 178.6
[M+H-H2O]+ 308.03162 165.0
[M+HCOO]- 370.03256 186.3
[M+CH3COO]- 384.04821 183.7
[M+Na-2H]- 346.00903 171.0
[M]+ 325.03381 176.0
[M]- 325.03491 176.0
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.