CID 6409958

Atsm

Structural Information

Molecular Formula
C8H16N6S2
SMILES
C/C(=N\NC(=S)NC)/C(=N/NC(=S)NC)/C
InChI
InChI=1S/C8H16N6S2/c1-5(11-13-7(15)9-3)6(2)12-14-8(16)10-4/h1-4H3,(H2,9,13,15)(H2,10,14,16)/b11-5+,12-6+
InChIKey
UTPYTEWRMXITIN-YDWXAUTNSA-N
Compound name
1-methyl-3-[(E)-[(3E)-3-(methylcarbamothioylhydrazinylidene)butan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

144
References

33
Patents

260.0878 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.09508 159.8
[M+Na]+ 283.07702 161.4
[M+NH4]+ 278.12162 165.0
[M+K]+ 299.05096 155.4
[M-H]- 259.08052 160.8
[M+Na-2H]- 281.06247 160.7
[M]+ 260.08725 160.3
[M]- 260.08835 160.3
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

patents stripe