CID 17517626

949766-14-7

Structural Information

Molecular Formula
C9H11N5S2
SMILES
CC1=C(SC(=N1)N)C2=NNC(=S)N2C3CC3
InChI
InChI=1S/C9H11N5S2/c1-4-6(16-8(10)11-4)7-12-13-9(15)14(7)5-2-3-5/h5H,2-3H2,1H3,(H2,10,11)(H,13,15)
InChIKey
JCNXHZYACHGQLT-UHFFFAOYSA-N
Compound name
3-(2-amino-4-methyl-1,3-thiazol-5-yl)-4-cyclopropyl-1H-1,2,4-triazole-5-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.0456 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.05288 149.5
[M+Na]+ 276.03482 164.7
[M-H]- 252.03832 155.0
[M+NH4]+ 271.07942 161.1
[M+K]+ 292.00876 156.0
[M+H-H2O]+ 236.04286 143.5
[M+HCOO]- 298.04380 163.1
[M+CH3COO]- 312.05945 161.7
[M+Na-2H]- 274.02027 146.8
[M]+ 253.04505 153.7
[M]- 253.04615 153.7
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.