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 149.5
[M+Na]+ 274.04430 162.2
[M-H]- 250.04780 151.5
[M+NH4]+ 269.08890 168.5
[M+K]+ 290.01824 156.2
[M+H-H2O]+ 234.05234 143.8
[M+HCOO]- 296.05328 158.7
[M+CH3COO]- 310.06893 161.8
[M+Na-2H]- 272.02975 151.9
[M]+ 251.05453 153.0
[M]- 251.05563 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.