CID 203915

4-((3-bromo-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-1-methylpiperidine maleate

Structural Information

Molecular Formula
C21H24BrNO
SMILES
CN1CCC(CC1)OC2C3=CC=CC=C3CCC4=C2C=C(C=C4)Br
InChI
InChI=1S/C21H24BrNO/c1-23-12-10-18(11-13-23)24-21-19-5-3-2-4-15(19)6-7-16-8-9-17(22)14-20(16)21/h2-5,8-9,14,18,21H,6-7,10-13H2,1H3
InChIKey
JFLZXPOKFLPYOH-UHFFFAOYSA-N
Compound name
4-[(5-bromo-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]-1-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.10413 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.11141 187.1
[M+Na]+ 408.09335 194.4
[M-H]- 384.09685 196.1
[M+NH4]+ 403.13795 202.3
[M+K]+ 424.06729 186.0
[M+H-H2O]+ 368.10139 186.1
[M+HCOO]- 430.10233 199.4
[M+CH3COO]- 444.11798 197.4
[M+Na-2H]- 406.07880 190.4
[M]+ 385.10358 198.6
[M]- 385.10468 198.6
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.