CID 3056994

3-alpha-tropanyl 5h-dibenzo(a,d)cyclohepten-10-carboxylate hydrogen fumarate

Structural Information

Molecular Formula
C24H25NO2
SMILES
CN1C2CCC1CC(C2)OC(=O)C3=CC4=CC=CC=C4CC5=CC=CC=C53
InChI
InChI=1S/C24H25NO2/c1-25-19-10-11-20(25)15-21(14-19)27-24(26)23-13-17-7-3-2-6-16(17)12-18-8-4-5-9-22(18)23/h2-9,13,19-21H,10-12,14-15H2,1H3
InChIKey
FPYDICIQFHRERE-UHFFFAOYSA-N
Compound name
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.18854 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.19582 187.8
[M+Na]+ 382.17776 193.2
[M-H]- 358.18126 194.9
[M+NH4]+ 377.22236 203.4
[M+K]+ 398.15170 189.6
[M+H-H2O]+ 342.18580 181.0
[M+HCOO]- 404.18674 200.8
[M+CH3COO]- 418.20239 196.5
[M+Na-2H]- 380.16321 188.8
[M]+ 359.18799 183.9
[M]- 359.18909 183.9
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.