CID 3074722

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

Structural Information

Molecular Formula
C15H13N3S2
SMILES
C1CCC2=C(C1)C(=S)N3C(=N2)SC(=N3)C4=CC=CC=C4
InChI
InChI=1S/C15H13N3S2/c19-14-11-8-4-5-9-12(11)16-15-18(14)17-13(20-15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
InChIKey
GVQWMNRZOFRYSU-UHFFFAOYSA-N
Compound name
2-phenyl-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

299.05508 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.06236 161.8
[M+Na]+ 322.04430 174.6
[M-H]- 298.04780 166.9
[M+NH4]+ 317.08890 178.4
[M+K]+ 338.01824 166.9
[M+H-H2O]+ 282.05234 155.0
[M+HCOO]- 344.05328 171.6
[M+CH3COO]- 358.06893 173.5
[M+Na-2H]- 320.02975 164.9
[M]+ 299.05453 164.3
[M]- 299.05563 164.3
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.