CID 49757415

1256627-94-7

Structural Information

Molecular Formula
C9H9N3S2
SMILES
CC1=CC=C(C=C1)SC2=NSC(=N2)N
InChI
InChI=1S/C9H9N3S2/c1-6-2-4-7(5-3-6)13-9-11-8(10)14-12-9/h2-5H,1H3,(H2,10,11,12)
InChIKey
KOICKUOHRFCPJD-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)sulfanyl-1,2,4-thiadiazol-5-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.02379 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.03107 143.7
[M+Na]+ 246.01301 156.1
[M+NH4]+ 241.05761 153.0
[M+K]+ 261.98695 147.5
[M-H]- 222.01651 147.9
[M+Na-2H]- 243.99846 150.6
[M]+ 223.02324 147.6
[M]- 223.02434 147.6
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.