CID 3075849

4-((2-(2-(dimethylamino)propyl)phenyl)thio)phenol hydrochloride

Structural Information

Molecular Formula
C17H21NOS
SMILES
CC(CC1=CC=CC=C1SC2=CC=C(C=C2)O)N(C)C
InChI
InChI=1S/C17H21NOS/c1-13(18(2)3)12-14-6-4-5-7-17(14)20-16-10-8-15(19)9-11-16/h4-11,13,19H,12H2,1-3H3
InChIKey
XIALVPWRLIIBKE-UHFFFAOYSA-N
Compound name
4-[2-[2-(dimethylamino)propyl]phenyl]sulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.1344 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.14168 166.9
[M+Na]+ 310.12362 172.7
[M-H]- 286.12712 173.5
[M+NH4]+ 305.16822 182.8
[M+K]+ 326.09756 168.6
[M+H-H2O]+ 270.13166 159.1
[M+HCOO]- 332.13260 184.2
[M+CH3COO]- 346.14825 205.5
[M+Na-2H]- 308.10907 167.3
[M]+ 287.13385 169.5
[M]- 287.13495 169.5
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.