CID 85648438

Dtxsid30888974

Structural Information

Molecular Formula
C16H31N3OS2
SMILES
CCCCCCCC(=O)NCC(C)CCCNC(=S)C(=S)N
InChI
InChI=1S/C16H31N3OS2/c1-3-4-5-6-7-10-14(20)19-12-13(2)9-8-11-18-16(22)15(17)21/h13H,3-12H2,1-2H3,(H2,17,21)(H,18,22)(H,19,20)
InChIKey
KURBMUJPNSFJEO-UHFFFAOYSA-N
Compound name
N-[5-[(2-amino-2-sulfanylideneethanethioyl)amino]-2-methylpentyl]octanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

345.19086 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.19814 184.5
[M+Na]+ 368.18008 186.4
[M+NH4]+ 363.22468 188.9
[M+K]+ 384.15402 178.8
[M-H]- 344.18358 183.1
[M+Na-2H]- 366.16553 182.5
[M]+ 345.19031 184.5
[M]- 345.19141 184.5
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

patents stripe