CID 3080343

Phenol, 2-((2-((bis(1-methylethyl)amino)methyl)phenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C19H25NOS
SMILES
CC(C)N(CC1=CC=CC=C1SC2=CC=CC=C2O)C(C)C
InChI
InChI=1S/C19H25NOS/c1-14(2)20(15(3)4)13-16-9-5-7-11-18(16)22-19-12-8-6-10-17(19)21/h5-12,14-15,21H,13H2,1-4H3
InChIKey
WBFMPRLCMZWFRQ-UHFFFAOYSA-N
Compound name
2-[2-[[di(propan-2-yl)amino]methyl]phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.16568 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.172956 175.8
[M+Na]+ 338.154898 180.3
[M-H]- 314.158404 182.0
[M+NH4]+ 333.199503 190.4
[M+K]+ 354.128838 176.4
[M+H-H2O]+ 298.162940 167.7
[M+HCOO]- 360.163881 191.3
[M+CH3COO]- 374.179531 212.3
[M+Na-2H]- 336.140346 174.1
[M]+ 315.16513142 178.5
[M]- 315.16622858 178.5
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.