CID 3074721

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

Structural Information

Molecular Formula
C11H13N3S2
SMILES
CCC1=NN2C(=S)C3=C(CCCC3)N=C2S1
InChI
InChI=1S/C11H13N3S2/c1-2-9-13-14-10(15)7-5-3-4-6-8(7)12-11(14)16-9/h2-6H2,1H3
InChIKey
DODBLVMUYKXCDW-UHFFFAOYSA-N
Compound name
2-ethyl-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

251.05508 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.062356 149.5
[M+Na]+ 274.044298 162.2
[M-H]- 250.047804 151.5
[M+NH4]+ 269.088903 168.5
[M+K]+ 290.018238 156.2
[M+H-H2O]+ 234.052340 143.8
[M+HCOO]- 296.053281 158.7
[M+CH3COO]- 310.068931 161.8
[M+Na-2H]- 272.029746 151.9
[M]+ 251.05453142 153.0
[M]- 251.05562858 153.0
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.