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]+ 316.17296 175.8
[M+Na]+ 338.15490 180.3
[M-H]- 314.15840 182.0
[M+NH4]+ 333.19950 190.4
[M+K]+ 354.12884 176.4
[M+H-H2O]+ 298.16294 167.7
[M+HCOO]- 360.16388 191.3
[M+CH3COO]- 374.17953 212.3
[M+Na-2H]- 336.14035 174.1
[M]+ 315.16513 178.5
[M]- 315.16623 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.