CID 3066039

109461-17-8

Structural Information

Molecular Formula
C18H20ClNO
SMILES
CC1(CN(CCO1)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H20ClNO/c1-18(16-7-9-17(19)10-8-16)14-20(11-12-21-18)13-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3
InChIKey
HXTLGEFYICREMM-UHFFFAOYSA-N
Compound name
4-benzyl-2-(4-chlorophenyl)-2-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.12335 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.130626 171.1
[M+Na]+ 324.112568 177.9
[M-H]- 300.116074 179.1
[M+NH4]+ 319.157173 185.7
[M+K]+ 340.086508 173.1
[M+H-H2O]+ 284.120610 161.8
[M+HCOO]- 346.121551 184.4
[M+CH3COO]- 360.137201 181.7
[M+Na-2H]- 322.098016 175.9
[M]+ 301.12280142 170.2
[M]- 301.12389858 170.2
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.