CID 515540

1,3,4-thiadiazol-2-amine, 5-methyl-n-(3-methyl-5-isothiazolyl)-

Structural Information

Molecular Formula
C7H8N4S2
SMILES
CC1=NSC(=C1)NC2=NN=C(S2)C
InChI
InChI=1S/C7H8N4S2/c1-4-3-6(13-11-4)8-7-10-9-5(2)12-7/h3H,1-2H3,(H,8,10)
InChIKey
MSTYKBFXRIGMJS-UHFFFAOYSA-N
Compound name
5-methyl-N-(3-methyl-1,2-thiazol-5-yl)-1,3,4-thiadiazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

212.01904 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.02632 139.3
[M+Na]+ 235.00826 152.8
[M-H]- 211.01176 144.4
[M+NH4]+ 230.05286 159.3
[M+K]+ 250.98220 148.7
[M+H-H2O]+ 195.01630 133.0
[M+HCOO]- 257.01724 155.9
[M+CH3COO]- 271.03289 153.6
[M+Na-2H]- 232.99371 139.9
[M]+ 212.01849 144.3
[M]- 212.01959 144.3
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.