CID 17765411

37437-21-1

Structural Information

Molecular Formula
C34H68N2S4
SMILES
CCCCC(CC)CN(CC(CC)CCCC)C(=S)SSC(=S)N(CC(CC)CCCC)CC(CC)CCCC
InChI
InChI=1S/C34H68N2S4/c1-9-17-21-29(13-5)25-35(26-30(14-6)22-18-10-2)33(37)39-40-34(38)36(27-31(15-7)23-19-11-3)28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3
InChIKey
VTEKOFXDMRILGB-UHFFFAOYSA-N
Compound name
bis(2-ethylhexyl)carbamothioylsulfanyl N,N-bis(2-ethylhexyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3774
Patents

632.4265 Da
Monoisotopic Mass

14.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 633.43378 249.2
[M+Na]+ 655.41572 241.1
[M-H]- 631.41922 273.1
[M+NH4]+ 650.46032 295.0
[M+K]+ 671.38966 231.2
[M+H-H2O]+ 615.42376 238.0
[M+HCOO]- 677.42470 276.7
[M+CH3COO]- 691.44035 275.2
[M+Na-2H]- 653.40117 236.1
[M]+ 632.42595 291.9
[M]- 632.42705 291.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe