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 175.2
[M+Na]+ 368.06202 183.9
[M-H]- 344.06552 185.6
[M+NH4]+ 363.10662 191.1
[M+K]+ 384.03596 173.3
[M+H-H2O]+ 328.07006 173.0
[M+HCOO]- 390.07100 191.1
[M+CH3COO]- 404.08665 187.4
[M+Na-2H]- 366.04747 181.3
[M]+ 345.07225 191.3
[M]- 345.07335 191.3
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.