CID 479135

(4-chloro-benzyl)-(3-thiomorpholin-4-yl-phenyl)-amine

Structural Information

Molecular Formula
C17H19ClN2S
SMILES
C1CSCCN1C2=CC=CC(=C2)NCC3=CC=C(C=C3)Cl
InChI
InChI=1S/C17H19ClN2S/c18-15-6-4-14(5-7-15)13-19-16-2-1-3-17(12-16)20-8-10-21-11-9-20/h1-7,12,19H,8-11,13H2
InChIKey
YWMOCFDTVNNEFO-UHFFFAOYSA-N
Compound name
N-[(4-chlorophenyl)methyl]-3-thiomorpholin-4-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

318.09573 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.10301 170.5
[M+Na]+ 341.08495 176.3
[M-H]- 317.08845 177.7
[M+NH4]+ 336.12955 184.2
[M+K]+ 357.05889 169.0
[M+H-H2O]+ 301.09299 161.9
[M+HCOO]- 363.09393 181.2
[M+CH3COO]- 377.10958 180.3
[M+Na-2H]- 339.07040 172.5
[M]+ 318.09518 168.8
[M]- 318.09628 168.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.