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 145.3
[M+Na]+ 260.02866 158.5
[M-H]- 236.03216 147.5
[M+NH4]+ 255.07326 164.8
[M+K]+ 276.00260 152.7
[M+H-H2O]+ 220.03670 139.8
[M+HCOO]- 282.03764 154.9
[M+CH3COO]- 296.05329 158.1
[M+Na-2H]- 258.01411 148.2
[M]+ 237.03889 148.5
[M]- 237.03999 148.5
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.