CID 202337

3-alpha-((5h-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane maleate

Structural Information

Molecular Formula
C23H25NO
SMILES
CN1C2CCC1CC(C2)OC3C4=CC=CC=C4C=CC5=CC=CC=C35
InChI
InChI=1S/C23H25NO/c1-24-18-12-13-19(24)15-20(14-18)25-23-21-8-4-2-6-16(21)10-11-17-7-3-5-9-22(17)23/h2-11,18-20,23H,12-15H2,1H3
InChIKey
GQAWDMWLORTZKF-UHFFFAOYSA-N
Compound name
8-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyloxy)-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

331.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 181.3
[M+Na]+ 354.18282 187.3
[M-H]- 330.18632 188.5
[M+NH4]+ 349.22742 198.2
[M+K]+ 370.15676 183.1
[M+H-H2O]+ 314.19086 174.5
[M+HCOO]- 376.19180 195.3
[M+CH3COO]- 390.20745 190.6
[M+Na-2H]- 352.16827 183.6
[M]+ 331.19305 177.0
[M]- 331.19415 177.0
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

patents stripe