CID 3022021

Nm-576

Structural Information

Molecular Formula
C15H23ClN2OS
SMILES
C1COCCN1CCCNCCSC2=CC=C(C=C2)Cl
InChI
InChI=1S/C15H23ClN2OS/c16-14-2-4-15(5-3-14)20-13-7-17-6-1-8-18-9-11-19-12-10-18/h2-5,17H,1,6-13H2
InChIKey
FWDTYPVGGSPWSH-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-3-morpholin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.12195 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.12923 172.5
[M+Na]+ 337.11117 184.5
[M+NH4]+ 332.15577 181.3
[M+K]+ 353.08511 173.9
[M-H]- 313.11467 178.3
[M+Na-2H]- 335.09662 178.6
[M]+ 314.12140 176.6
[M]- 314.12250 176.6
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.