CID 13848065

Pentex

Structural Information

Molecular Formula
C18H36N2S3
SMILES
CCCCN(CCCC)C(=S)SC(=S)N(CCCC)CCCC
InChI
InChI=1S/C18H36N2S3/c1-5-9-13-19(14-10-6-2)17(21)23-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
InChIKey
LEOJDCQCOZOLTQ-UHFFFAOYSA-N
Compound name
dibutylcarbamothioyl N,N-dibutylcarbamodithioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1790
Patents

376.20407 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.21135 190.2
[M+Na]+ 399.19329 190.4
[M-H]- 375.19679 189.6
[M+NH4]+ 394.23789 203.0
[M+K]+ 415.16723 184.2
[M+H-H2O]+ 359.20133 181.1
[M+HCOO]- 421.20227 192.7
[M+CH3COO]- 435.21792 228.7
[M+Na-2H]- 397.17874 183.2
[M]+ 376.20352 195.1
[M]- 376.20462 195.1
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

No patent data available for this compound.