CID 6409958

Cu(ii)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
2
Annotation Hits

146
References

3251
Patents

260.0878 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.095076 158.6
[M+Na]+ 283.077018 160.3
[M-H]- 259.080524 160.0
[M+NH4]+ 278.121623 174.3
[M+K]+ 299.050958 157.2
[M+H-H2O]+ 243.085060 149.2
[M+HCOO]- 305.086001 174.1
[M+CH3COO]- 319.101651 212.4
[M+Na-2H]- 281.062466 158.4
[M]+ 260.08725142 155.7
[M]- 260.08834858 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