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]+ 302.13063 171.1
[M+Na]+ 324.11257 177.9
[M-H]- 300.11607 179.1
[M+NH4]+ 319.15717 185.7
[M+K]+ 340.08651 173.1
[M+H-H2O]+ 284.12061 161.8
[M+HCOO]- 346.12155 184.4
[M+CH3COO]- 360.13720 181.7
[M+Na-2H]- 322.09802 175.9
[M]+ 301.12280 170.2
[M]- 301.12390 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.