CID 3033542

Didodecyl vinylenebis(thiocarbamate)

Structural Information

Molecular Formula
C28H54N2O2S2
SMILES
CCCCCCCCCCCCSC(=O)N/C=C/NC(=O)SCCCCCCCCCCCC
InChI
InChI=1S/C28H54N2O2S2/c1-3-5-7-9-11-13-15-17-19-21-25-33-27(31)29-23-24-30-28(32)34-26-22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22,25-26H2,1-2H3,(H,29,31)(H,30,32)/b24-23+
InChIKey
CNYKNNHPLAOQEI-WCWDXBQESA-N
Compound name
S-dodecyl N-[(E)-2-(dodecylsulfanylcarbonylamino)ethenyl]carbamothioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

514.3627 Da
Monoisotopic Mass

11.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 515.36998 230.2
[M+Na]+ 537.35192 226.2
[M-H]- 513.35542 225.4
[M+NH4]+ 532.39652 258.2
[M+K]+ 553.32586 217.5
[M+H-H2O]+ 497.35996 220.0
[M+HCOO]- 559.36090 263.7
[M+CH3COO]- 573.37655 248.8
[M+Na-2H]- 535.33737 221.3
[M]+ 514.36215 239.2
[M]- 514.36325 239.2
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.