CID 380026

Nsc665320

Structural Information

Molecular Formula
C18H26N2O2
SMILES
C1CN2CCC1C(C2CN3CCOCC3)(C4=CC=CC=C4)O
InChI
InChI=1S/C18H26N2O2/c21-18(15-4-2-1-3-5-15)16-6-8-20(9-7-16)17(18)14-19-10-12-22-13-11-19/h1-5,16-17,21H,6-14H2
InChIKey
CCYXXYJAWASQPU-UHFFFAOYSA-N
Compound name
2-(morpholin-4-ylmethyl)-3-phenyl-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.19943 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 167.4
[M+Na]+ 325.18865 168.7
[M-H]- 301.19215 165.4
[M+NH4]+ 320.23325 183.1
[M+K]+ 341.16259 165.3
[M+H-H2O]+ 285.19669 156.7
[M+HCOO]- 347.19763 170.3
[M+CH3COO]- 361.21328 173.8
[M+Na-2H]- 323.17410 175.7
[M]+ 302.19888 163.4
[M]- 302.19998 163.4
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.