CID 3020153

2-undecyl-1h-imidazole-4-carbodithioic acid

Structural Information

Molecular Formula
C15H26N2S2
SMILES
CCCCCCCCCCCC1=NC=C(N1)C(=S)S
InChI
InChI=1S/C15H26N2S2/c1-2-3-4-5-6-7-8-9-10-11-14-16-12-13(17-14)15(18)19/h12H,2-11H2,1H3,(H,16,17)(H,18,19)
InChIKey
JLPZJNSJPMYRJA-UHFFFAOYSA-N
Compound name
2-undecyl-1H-imidazole-5-carbodithioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

298.15375 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.161026 169.0
[M+Na]+ 321.142968 175.2
[M-H]- 297.146474 167.7
[M+NH4]+ 316.187573 184.1
[M+K]+ 337.116908 168.8
[M+H-H2O]+ 281.151010 161.9
[M+HCOO]- 343.151951 176.8
[M+CH3COO]- 357.167601 201.4
[M+Na-2H]- 319.128416 164.0
[M]+ 298.15320142 173.2
[M]- 298.15429858 173.2
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

patents stripe