CID 3001755

Butanethioamide, 2,2'-[1,2-ethanediylbis(imino)]bis-

Structural Information

Molecular Formula
C10H22N4S2
SMILES
CCC(C(=S)N)NCCNC(CC)C(=S)N
InChI
InChI=1S/C10H22N4S2/c1-3-7(9(11)15)13-5-6-14-8(4-2)10(12)16/h7-8,13-14H,3-6H2,1-2H3,(H2,11,15)(H2,12,16)
InChIKey
LIGALFUGDAWYDX-UHFFFAOYSA-N
Compound name
2-[2-[(1-amino-1-sulfanylidenebutan-2-yl)amino]ethylamino]butanethioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

262.1286 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13588 159.5
[M+Na]+ 285.11782 160.3
[M-H]- 261.12132 156.7
[M+NH4]+ 280.16242 173.9
[M+K]+ 301.09176 155.6
[M+H-H2O]+ 245.12586 151.3
[M+HCOO]- 307.12680 168.3
[M+CH3COO]- 321.14245 207.8
[M+Na-2H]- 283.10327 154.7
[M]+ 262.12805 155.3
[M]- 262.12915 155.3
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

No patent data available for this compound.