CID 3066049

2-ethyl-2-(4-chlorophenyl)-4-benzylmorpholine hydrochloride

Structural Information

Molecular Formula
C19H22ClNO
SMILES
CCC1(CN(CCO1)CC2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H22ClNO/c1-2-19(17-8-10-18(20)11-9-17)15-21(12-13-22-19)14-16-6-4-3-5-7-16/h3-11H,2,12-15H2,1H3
InChIKey
YDSFUDVPLAIIGQ-UHFFFAOYSA-N
Compound name
4-benzyl-2-(4-chlorophenyl)-2-ethylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.13898 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.14626 175.6
[M+Na]+ 338.12820 182.0
[M-H]- 314.13170 183.4
[M+NH4]+ 333.17280 189.7
[M+K]+ 354.10214 176.9
[M+H-H2O]+ 298.13624 166.1
[M+HCOO]- 360.13718 188.6
[M+CH3COO]- 374.15283 185.8
[M+Na-2H]- 336.11365 179.8
[M]+ 315.13843 175.1
[M]- 315.13953 175.1
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.