CID 21875

Brn 1596532

Structural Information

Molecular Formula
C22H26ClNO
SMILES
C1CC2CCC1CN2CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C22H26ClNO/c23-20-10-8-19(9-11-20)22(18-4-2-1-3-5-18)25-15-14-24-16-17-6-12-21(24)13-7-17/h1-5,8-11,17,21-22H,6-7,12-16H2
InChIKey
YBNWWZVLCYCARU-UHFFFAOYSA-N
Compound name
2-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-2-azabicyclo[2.2.2]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.1703 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.17758 181.8
[M+Na]+ 378.15952 183.8
[M-H]- 354.16302 181.8
[M+NH4]+ 373.20412 197.6
[M+K]+ 394.13346 177.5
[M+H-H2O]+ 338.16756 172.5
[M+HCOO]- 400.16850 185.7
[M+CH3COO]- 414.18415 188.5
[M+Na-2H]- 376.14497 188.4
[M]+ 355.16975 183.7
[M]- 355.17085 183.7
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.