CID 3024717

Nm-567

Structural Information

Molecular Formula
C20H25ClN2OS
SMILES
C1COCCN1CCN(CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C20H25ClN2OS/c21-18-6-8-20(9-7-18)25-17-14-23(19-4-2-1-3-5-19)11-10-22-12-15-24-16-13-22/h1-9H,10-17H2
InChIKey
KUPBTSHLOIXJEP-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-N-(2-morpholin-4-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

376.1376 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.14488 187.9
[M+Na]+ 399.12682 191.5
[M-H]- 375.13032 196.2
[M+NH4]+ 394.17142 198.1
[M+K]+ 415.10076 186.5
[M+H-H2O]+ 359.13486 178.0
[M+HCOO]- 421.13580 197.4
[M+CH3COO]- 435.15145 196.4
[M+Na-2H]- 397.11227 188.9
[M]+ 376.13705 189.8
[M]- 376.13815 189.8
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.