CID 9570145

Brn 0536162

Structural Information

Molecular Formula
C10H16N4OS2
SMILES
CC1=NSC(=C1)/C=N/NC(=S)NCCCOC
InChI
InChI=1S/C10H16N4OS2/c1-8-6-9(17-14-8)7-12-13-10(16)11-4-3-5-15-2/h6-7H,3-5H2,1-2H3,(H2,11,13,16)/b12-7+
InChIKey
APSDFAIMEGZKTJ-KPKJPENVSA-N
Compound name
1-(3-methoxypropyl)-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

272.07657 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.08385 161.1
[M+Na]+ 295.06579 167.4
[M+NH4]+ 290.11039 167.9
[M+K]+ 311.03973 160.0
[M-H]- 271.06929 162.9
[M+Na-2H]- 293.05124 163.9
[M]+ 272.07602 162.9
[M]- 272.07712 162.9
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.