CID 3080339

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

Structural Information

Molecular Formula
C19H25NOS
SMILES
CCCN(CCC)CC1=CC=CC=C1SC2=CC=CC=C2O
InChI
InChI=1S/C19H25NOS/c1-3-13-20(14-4-2)15-16-9-5-7-11-18(16)22-19-12-8-6-10-17(19)21/h5-12,21H,3-4,13-15H2,1-2H3
InChIKey
VZAHOCNBVJIEQR-UHFFFAOYSA-N
Compound name
2-[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 175.5
[M+Na]+ 338.15490 180.8
[M-H]- 314.15840 181.6
[M+NH4]+ 333.19950 190.3
[M+K]+ 354.12884 175.6
[M+H-H2O]+ 298.16294 167.1
[M+HCOO]- 360.16388 193.2
[M+CH3COO]- 374.17953 210.6
[M+Na-2H]- 336.14035 176.0
[M]+ 315.16513 179.3
[M]- 315.16623 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

patents stripe