CID 25351

Brn 1510210

Structural Information

Molecular Formula
C23H25NO3
SMILES
C1CN2CCC1C(C2)OC(=O)C3(C4=CC=CC=C4CCC5=CC=CC=C53)O
InChI
InChI=1S/C23H25NO3/c25-22(27-21-15-24-13-11-18(21)12-14-24)23(26)19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)23/h1-8,18,21,26H,9-15H2
InChIKey
UJNHQURPYXRHAA-UHFFFAOYSA-N
Compound name
1-azabicyclo[2.2.2]octan-3-yl 2-hydroxytricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.18344 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.19072 182.5
[M+Na]+ 386.17266 185.9
[M-H]- 362.17616 182.8
[M+NH4]+ 381.21726 199.7
[M+K]+ 402.14660 181.5
[M+H-H2O]+ 346.18070 175.3
[M+HCOO]- 408.18164 186.6
[M+CH3COO]- 422.19729 188.8
[M+Na-2H]- 384.15811 190.8
[M]+ 363.18289 179.5
[M]- 363.18399 179.5
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.