CID 3066061

109461-30-5

Structural Information

Molecular Formula
C18H20BrNO
SMILES
CC1(CN(CCO1)CC2=CC=CC=C2)C3=CC=C(C=C3)Br
InChI
InChI=1S/C18H20BrNO/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
VMUUMDUJNUXSBF-UHFFFAOYSA-N
Compound name
4-benzyl-2-(4-bromophenyl)-2-methylmorpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.0728 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.08008 173.2
[M+Na]+ 368.06202 179.0
[M+NH4]+ 363.10662 180.0
[M+K]+ 384.03596 174.9
[M-H]- 344.06552 179.0
[M+Na-2H]- 366.04747 180.6
[M]+ 345.07225 174.9
[M]- 345.07335 174.9
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.