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 174.4
[M+Na]+ 366.07052 186.6
[M-H]- 342.07402 179.4
[M+NH4]+ 361.11512 189.3
[M+K]+ 382.04446 179.0
[M+H-H2O]+ 326.07856 167.3
[M+HCOO]- 388.07950 183.6
[M+CH3COO]- 402.09515 185.2
[M+Na-2H]- 364.05597 176.1
[M]+ 343.08075 179.1
[M]- 343.08185 179.1
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.