CID 3033263

4,4-dimethyl-1-octadecyl-2-imidazolidinethione

Structural Information

Molecular Formula
C23H46N2S
SMILES
CCCCCCCCCCCCCCCCCCN1CC(NC1=S)(C)C
InChI
InChI=1S/C23H46N2S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-21-23(2,3)24-22(25)26/h4-21H2,1-3H3,(H,24,26)
InChIKey
YPAYDYHGKCVDFB-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1-octadecylimidazolidine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.33817 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.34545 198.8
[M+Na]+ 405.32739 200.9
[M-H]- 381.33089 195.7
[M+NH4]+ 400.37199 212.2
[M+K]+ 421.30133 194.3
[M+H-H2O]+ 365.33543 191.1
[M+HCOO]- 427.33637 207.6
[M+CH3COO]- 441.35202 221.2
[M+Na-2H]- 403.31284 192.2
[M]+ 382.33762 203.5
[M]- 382.33872 203.5
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.