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 171.4
[M+Na]+ 337.11117 175.6
[M-H]- 313.11467 175.7
[M+NH4]+ 332.15577 184.2
[M+K]+ 353.08511 170.8
[M+H-H2O]+ 297.11921 163.4
[M+HCOO]- 359.12015 180.6
[M+CH3COO]- 373.13580 204.0
[M+Na-2H]- 335.09662 173.2
[M]+ 314.12140 172.8
[M]- 314.12250 172.8
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.