CID 79800

Tetrapentylthioperoxydicarbamic acid

Structural Information

Molecular Formula
C22H44N2S4
SMILES
CCCCCN(CCCCC)C(=S)SSC(=S)N(CCCCC)CCCCC
InChI
InChI=1S/C22H44N2S4/c1-5-9-13-17-23(18-14-10-6-2)21(25)27-28-22(26)24(19-15-11-7-3)20-16-12-8-4/h5-20H2,1-4H3
InChIKey
HDKVJYLPNIUCJJ-UHFFFAOYSA-N
Compound name
dipentylcarbamothioylsulfanyl N,N-dipentylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

392
Patents

464.23874 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.24602 208.1
[M+Na]+ 487.22796 206.1
[M-H]- 463.23146 205.1
[M+NH4]+ 482.27256 216.7
[M+K]+ 503.20190 196.4
[M+H-H2O]+ 447.23600 197.9
[M+HCOO]- 509.23694 203.0
[M+CH3COO]- 523.25259 242.7
[M+Na-2H]- 485.21341 200.6
[M]+ 464.23819 211.4
[M]- 464.23929 211.4
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