CID 9576149

18667-61-3

Structural Information

Molecular Formula
C12H24N6S2
SMILES
CCCCC/C(=N\NC(=S)NC)/C(=N/NC(=S)NC)/C
InChI
InChI=1S/C12H24N6S2/c1-5-6-7-8-10(16-18-12(20)14-4)9(2)15-17-11(19)13-3/h5-8H2,1-4H3,(H2,13,17,19)(H2,14,18,20)/b15-9+,16-10+
InChIKey
YXTHZKXQORJILF-KAVGSWPWSA-N
Compound name
1-methyl-3-[(E)-[(2E)-2-(methylcarbamothioylhydrazinylidene)octan-3-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.1504 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.15768 175.2
[M+Na]+ 339.13962 176.0
[M+NH4]+ 334.18422 179.8
[M+K]+ 355.11356 169.1
[M-H]- 315.14312 176.0
[M+Na-2H]- 337.12507 175.3
[M]+ 316.14985 175.5
[M]- 316.15095 175.5
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.