CID 3021218

1-(2-((3,5-di-t-butyl-4-hydroxyphenyl)thio)hexyl)urea

Structural Information

Molecular Formula
C21H36N2O2S
SMILES
CCCCC(CNC(=O)N)SC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C21H36N2O2S/c1-8-9-10-14(13-23-19(22)25)26-15-11-16(20(2,3)4)18(24)17(12-15)21(5,6)7/h11-12,14,24H,8-10,13H2,1-7H3,(H3,22,23,25)
InChIKey
DPPRMAISXXNFCA-UHFFFAOYSA-N
Compound name
2-(3,5-ditert-butyl-4-hydroxyphenyl)sulfanylhexylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.24976 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.25704 199.4
[M+Na]+ 403.23898 205.5
[M+NH4]+ 398.28358 204.1
[M+K]+ 419.21292 199.7
[M-H]- 379.24248 199.3
[M+Na-2H]- 401.22443 200.2
[M]+ 380.24921 200.5
[M]- 380.25031 200.5
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.