CID 76470

3064-73-1

Structural Information

Molecular Formula
C18H36N2S4
SMILES
CC(C)CN(CC(C)C)C(=S)SSC(=S)N(CC(C)C)CC(C)C
InChI
InChI=1S/C18H36N2S4/c1-13(2)9-19(10-14(3)4)17(21)23-24-18(22)20(11-15(5)6)12-16(7)8/h13-16H,9-12H2,1-8H3
InChIKey
QOTYLQBPNZRMNL-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl)carbamothioylsulfanyl N,N-bis(2-methylpropyl)carbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

578
Patents

408.17615 Da
Monoisotopic Mass

7.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.18343 188.7
[M+Na]+ 431.16537 190.2
[M+NH4]+ 426.20997 194.4
[M+K]+ 447.13931 181.6
[M-H]- 407.16887 188.3
[M+Na-2H]- 429.15082 186.6
[M]+ 408.17560 190.1
[M]- 408.17670 190.1
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