CID 202341

3-alpha-((3-methyl-10,11-dihydro-5h-dibenzo(a,d)cyclohepten-5-yl)oxy)tropane maleate

Structural Information

Molecular Formula
C24H29NO
SMILES
CC1=CC2=C(CCC3=CC=CC=C3C2OC4CC5CCC(C4)N5C)C=C1
InChI
InChI=1S/C24H29NO/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/h3-8,13,19-21,24H,9-12,14-15H2,1-2H3
InChIKey
ZVJKWNUTNBSFNC-UHFFFAOYSA-N
Compound name
8-methyl-3-[(5-methyl-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaenyl)oxy]-8-azabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.2249 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23218 187.0
[M+Na]+ 370.21412 192.4
[M-H]- 346.21762 193.8
[M+NH4]+ 365.25872 203.4
[M+K]+ 386.18806 188.1
[M+H-H2O]+ 330.22216 180.0
[M+HCOO]- 392.22310 199.2
[M+CH3COO]- 406.23875 195.6
[M+Na-2H]- 368.19957 187.1
[M]+ 347.22435 181.9
[M]- 347.22545 181.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.