CID 3080341

Phenol, 3-((2-((dipropylamino)methyl)phenyl)thio)-, hydrochloride

Structural Information

Molecular Formula
C19H25NOS
SMILES
CCCN(CCC)CC1=CC=CC=C1SC2=CC=CC(=C2)O
InChI
InChI=1S/C19H25NOS/c1-3-12-20(13-4-2)15-16-8-5-6-11-19(16)22-18-10-7-9-17(21)14-18/h5-11,14,21H,3-4,12-13,15H2,1-2H3
InChIKey
DOKBXOKAEREIFE-UHFFFAOYSA-N
Compound name
3-[2-[(dipropylamino)methyl]phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

315.16568 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.172956 175.5
[M+Na]+ 338.154898 180.8
[M-H]- 314.158404 181.6
[M+NH4]+ 333.199503 190.3
[M+K]+ 354.128838 175.6
[M+H-H2O]+ 298.162940 167.1
[M+HCOO]- 360.163881 193.2
[M+CH3COO]- 374.179531 210.6
[M+Na-2H]- 336.140346 176.0
[M]+ 315.16513142 179.3
[M]- 315.16622858 179.3
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.