CID 43530110

(4-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methanamine hydrochloride

Structural Information

Molecular Formula
C15H16ClNOS
SMILES
C1=CC(=CC=C1CN)OCCSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H16ClNOS/c16-13-3-7-15(8-4-13)19-10-9-18-14-5-1-12(11-17)2-6-14/h1-8H,9-11,17H2
InChIKey
MDMWKZRRRKYPPV-UHFFFAOYSA-N
Compound name
[4-[2-(4-chlorophenyl)sulfanylethoxy]phenyl]methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.06412 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.07140 164.9
[M+Na]+ 316.05334 179.6
[M+NH4]+ 311.09794 174.7
[M+K]+ 332.02728 168.2
[M-H]- 292.05684 170.8
[M+Na-2H]- 314.03879 174.0
[M]+ 293.06357 169.6
[M]- 293.06467 169.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

Patent stripe

No patent data available for this compound.