CID 202337

Schembl2111496

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
3
Annotation Hits

0
References

34
Patents

331.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.200876 181.3
[M+Na]+ 354.182818 187.3
[M-H]- 330.186324 188.5
[M+NH4]+ 349.227423 198.2
[M+K]+ 370.156758 183.1
[M+H-H2O]+ 314.190860 174.5
[M+HCOO]- 376.191801 195.3
[M+CH3COO]- 390.207451 190.6
[M+Na-2H]- 352.168266 183.6
[M]+ 331.19305142 177.0
[M]- 331.19414858 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