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]+ 252.06236 151.6
[M+Na]+ 274.04430 165.6
[M+NH4]+ 269.08890 161.5
[M+K]+ 290.01824 155.6
[M-H]- 250.04780 154.0
[M+Na-2H]- 272.02975 156.0
[M]+ 251.05453 155.3
[M]- 251.05563 155.3
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.