CID 3074723

5h-1,3,4-thiadiazolo(2,3-b)quinazoline-5-thione, 6,7,8,9-tetrahydro-2-(2-ethoxyphenyl)-

Structural Information

Molecular Formula
C17H17N3OS2
SMILES
CCOC1=CC=CC=C1C2=NN3C(=S)C4=C(CCCC4)N=C3S2
InChI
InChI=1S/C17H17N3OS2/c1-2-21-14-10-6-4-8-12(14)15-19-20-16(22)11-7-3-5-9-13(11)18-17(20)23-15/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKey
ZNYZFUWLVQNSHO-UHFFFAOYSA-N
Compound name
2-(2-ethoxyphenyl)-6,7,8,9-tetrahydro-[1,3,4]thiadiazolo[2,3-b]quinazoline-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

343.0813 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.08858 173.8
[M+Na]+ 366.07052 189.4
[M+NH4]+ 361.11512 183.3
[M+K]+ 382.04446 178.4
[M-H]- 342.07402 178.4
[M+Na-2H]- 364.05597 180.5
[M]+ 343.08075 178.5
[M]- 343.08185 178.5
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.