CID 202339

1-alpha-h,5-alpha-h-tropane, 3-alpha-((3-methyl-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)-, maleate (1:1)

Structural Information

Molecular Formula
C24H27NO
SMILES
CC1=CC2=C(C=C1)C=CC3=CC=CC=C3C2OC4CC5CCC(C4)N5C
InChI
InChI=1S/C24H27NO/c1-16-7-8-18-10-9-17-5-3-4-6-22(17)24(23(18)13-16)26-21-14-19-11-12-20(15-21)25(19)2/h3-10,13,19-21,24H,11-12,14-15H2,1-2H3
InChIKey
UOOYAPDETFUJIV-UHFFFAOYSA-N
Compound name
8-methyl-3-[(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)oxy]-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.20926 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.216536 186.4
[M+Na]+ 368.198478 192.8
[M-H]- 344.201984 193.7
[M+NH4]+ 363.243083 203.0
[M+K]+ 384.172418 188.5
[M+H-H2O]+ 328.206520 179.6
[M+HCOO]- 390.207461 200.0
[M+CH3COO]- 404.223111 195.6
[M+Na-2H]- 366.183926 187.5
[M]+ 345.20871142 182.7
[M]- 345.20980858 182.7
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.