CID 3074720

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

Structural Information

Molecular Formula
C10H11N3S2
SMILES
CC1=NN2C(=S)C3=C(CCCC3)N=C2S1
InChI
InChI=1S/C10H11N3S2/c1-6-12-13-9(14)7-4-2-3-5-8(7)11-10(13)15-6/h2-5H2,1H3
InChIKey
BGKTVBGGWFAMHM-UHFFFAOYSA-N
Compound name
2-methyl-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

237.03944 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.04672 147.4
[M+Na]+ 260.02866 161.6
[M+NH4]+ 255.07326 157.5
[M+K]+ 276.00260 151.8
[M-H]- 236.03216 149.9
[M+Na-2H]- 258.01411 152.1
[M]+ 237.03889 151.2
[M]- 237.03999 151.2
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.