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

literature stripe

Patent stripe

patents stripe