CID 9570146

Brn 0522743

Structural Information

Molecular Formula
C8H12N4S2
SMILES
CC1=NSC(=C1)/C=N/NC(=S)N(C)C
InChI
InChI=1S/C8H12N4S2/c1-6-4-7(14-11-6)5-9-10-8(13)12(2)3/h4-5H,1-3H3,(H,10,13)/b9-5+
InChIKey
RTONJODSQLDTJT-WEVVVXLNSA-N
Compound name
1,1-dimethyl-3-[(E)-(3-methyl-1,2-thiazol-5-yl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.05034 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.05762 149.1
[M+Na]+ 251.03956 156.8
[M-H]- 227.04306 154.3
[M+NH4]+ 246.08416 169.0
[M+K]+ 267.01350 153.9
[M+H-H2O]+ 211.04760 141.5
[M+HCOO]- 273.04854 166.0
[M+CH3COO]- 287.06419 198.3
[M+Na-2H]- 249.02501 149.4
[M]+ 228.04979 151.8
[M]- 228.05089 151.8
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.