CID 3075823

1-(2-(2-methoxyphenylthio)phenyl)-2-propylamine hydrochloride

Structural Information

Molecular Formula
C16H19NOS
SMILES
CC(CC1=CC=CC=C1SC2=CC=CC=C2OC)N
InChI
InChI=1S/C16H19NOS/c1-12(17)11-13-7-3-5-9-15(13)19-16-10-6-4-8-14(16)18-2/h3-10,12H,11,17H2,1-2H3
InChIKey
IZCVLFKUXSXJLR-UHFFFAOYSA-N
Compound name
1-[2-(2-methoxyphenyl)sulfanylphenyl]propan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11874 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.126016 162.8
[M+Na]+ 296.107958 169.4
[M-H]- 272.111464 168.9
[M+NH4]+ 291.152563 179.1
[M+K]+ 312.081898 164.6
[M+H-H2O]+ 256.116000 155.1
[M+HCOO]- 318.116941 180.9
[M+CH3COO]- 332.132591 201.1
[M+Na-2H]- 294.093406 163.7
[M]+ 273.11819142 164.6
[M]- 273.11928858 164.6
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.