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

145
References

3120
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 158.6
[M+Na]+ 283.07702 160.3
[M-H]- 259.08052 160.0
[M+NH4]+ 278.12162 174.3
[M+K]+ 299.05096 157.2
[M+H-H2O]+ 243.08506 149.2
[M+HCOO]- 305.08600 174.1
[M+CH3COO]- 319.10165 212.4
[M+Na-2H]- 281.06247 158.4
[M]+ 260.08725 155.7
[M]- 260.08835 155.7
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