CID 23075

Ksd 2383

Structural Information

Molecular Formula
C25H33NO
SMILES
CCCN1C2CCCC1CC(C2)OC(C3=CC=CC=C3)C4=CC=CC=C4C
InChI
InChI=1S/C25H33NO/c1-3-16-26-21-13-9-14-22(26)18-23(17-21)27-25(20-11-5-4-6-12-20)24-15-8-7-10-19(24)2/h4-8,10-12,15,21-23,25H,3,9,13-14,16-18H2,1-2H3
InChIKey
UAQDQJXEOTYPAY-UHFFFAOYSA-N
Compound name
3-[(2-methylphenyl)-phenylmethoxy]-9-propyl-9-azabicyclo[3.3.1]nonane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

363.25623 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.26351 193.0
[M+Na]+ 386.24545 194.7
[M-H]- 362.24895 198.2
[M+NH4]+ 381.29005 204.6
[M+K]+ 402.21939 188.7
[M+H-H2O]+ 346.25349 181.8
[M+HCOO]- 408.25443 204.8
[M+CH3COO]- 422.27008 199.9
[M+Na-2H]- 384.23090 192.9
[M]+ 363.25568 188.5
[M]- 363.25678 188.5
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.