CID 3000610

2-phenyl-3-(5-sulfanyl-1,3,4-thiadiazol-2-yl)quinazolin-4-one

Structural Information

Molecular Formula
C16H10N4OS2
SMILES
C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=O)N2C4=NNC(=S)S4
InChI
InChI=1S/C16H10N4OS2/c21-14-11-8-4-5-9-12(11)17-13(10-6-2-1-3-7-10)20(14)15-18-19-16(22)23-15/h1-9H,(H,19,22)
InChIKey
NYEYSNDLIAWAFM-UHFFFAOYSA-N
Compound name
2-phenyl-3-(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)quinazolin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

338.0296 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.03688 172.9
[M+Na]+ 361.01882 187.8
[M-H]- 337.02232 178.9
[M+NH4]+ 356.06342 184.9
[M+K]+ 376.99276 177.8
[M+H-H2O]+ 321.02686 165.5
[M+HCOO]- 383.02780 184.2
[M+CH3COO]- 397.04345 184.2
[M+Na-2H]- 359.00427 175.4
[M]+ 338.02905 176.4
[M]- 338.03015 176.4
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

No patent data available for this compound.