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

0
Patents

315.16568 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.17296 175.8
[M+Na]+ 338.15490 188.8
[M+NH4]+ 333.19950 184.8
[M+K]+ 354.12884 178.0
[M-H]- 314.15840 181.6
[M+Na-2H]- 336.14035 184.1
[M]+ 315.16513 179.9
[M]- 315.16623 179.9
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.