CID 23073

Ksd 2359

Structural Information

Molecular Formula
C23H29NO
SMILES
CC1=CC=C(C=C1)C(C2=CC=CC=C2)OC3CC4CCCC(C3)N4C
InChI
InChI=1S/C23H29NO/c1-17-11-13-19(14-12-17)23(18-7-4-3-5-8-18)25-22-15-20-9-6-10-21(16-22)24(20)2/h3-5,7-8,11-14,20-23H,6,9-10,15-16H2,1-2H3
InChIKey
DHWIOMVMOLKSKO-UHFFFAOYSA-N
Compound name
9-methyl-3-[(4-methylphenyl)-phenylmethoxy]-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.23218 184.7
[M+Na]+ 358.21412 199.2
[M+NH4]+ 353.25872 194.7
[M+K]+ 374.18806 189.3
[M-H]- 334.21762 191.4
[M+Na-2H]- 356.19957 192.1
[M]+ 335.22435 188.9
[M]- 335.22545 188.9
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.