CID 3066045

109461-20-3

Structural Information

Molecular Formula
C18H20FNO
SMILES
CC1(CN(CCO1)CC2=CC=CC=C2)C3=CC=C(C=C3)F
InChI
InChI=1S/C18H20FNO/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
LHEVKCMAWRQYAS-UHFFFAOYSA-N
Compound name
4-benzyl-2-(4-fluorophenyl)-2-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.1529 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16018 167.8
[M+Na]+ 308.14212 174.0
[M-H]- 284.14562 174.8
[M+NH4]+ 303.18672 182.2
[M+K]+ 324.11606 170.3
[M+H-H2O]+ 268.15016 157.2
[M+HCOO]- 330.15110 184.8
[M+CH3COO]- 344.16675 178.3
[M+Na-2H]- 306.12757 172.5
[M]+ 285.15235 163.7
[M]- 285.15345 163.7
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.