CID 3088326

4-(1-imino-2-(2-(phenylthio)phenyl)ethyl)morpholine hydrochloride

Structural Information

Molecular Formula
C18H20N2OS
SMILES
C1COCCN1C(=N)CC2=CC=CC=C2SC3=CC=CC=C3
InChI
InChI=1S/C18H20N2OS/c19-18(20-10-12-21-13-11-20)14-15-6-4-5-9-17(15)22-16-7-2-1-3-8-16/h1-9,19H,10-14H2
InChIKey
LXKGYDSIECEOBG-UHFFFAOYSA-N
Compound name
1-morpholin-4-yl-2-(2-phenylsulfanylphenyl)ethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12964 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13692 171.7
[M+Na]+ 335.11886 185.1
[M+NH4]+ 330.16346 180.7
[M+K]+ 351.09280 175.0
[M-H]- 311.12236 179.9
[M+Na-2H]- 333.10431 181.0
[M]+ 312.12909 176.5
[M]- 312.13019 176.5
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.