CID 82496

10254-57-6

Structural Information

Molecular Formula
C19H38N2S4
SMILES
CCCCN(CCCC)C(=S)SCSC(=S)N(CCCC)CCCC
InChI
InChI=1S/C19H38N2S4/c1-5-9-13-20(14-10-6-2)18(22)24-17-25-19(23)21(15-11-7-3)16-12-8-4/h5-17H2,1-4H3
InChIKey
LMODBLQHQHXPEI-UHFFFAOYSA-N
Compound name
dibutylcarbamothioylsulfanylmethyl N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2052
Patents

422.19177 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.19905 197.5
[M+Na]+ 445.18099 196.7
[M-H]- 421.18449 195.0
[M+NH4]+ 440.22559 207.5
[M+K]+ 461.15493 187.5
[M+H-H2O]+ 405.18903 187.7
[M+HCOO]- 467.18997 193.1
[M+CH3COO]- 481.20562 235.5
[M+Na-2H]- 443.16644 190.9
[M]+ 422.19122 199.9
[M]- 422.19232 199.9
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