CID 425102

Nsc170521

Structural Information

Molecular Formula
C17H25NO4
SMILES
COC1=CC(=CC(=C1OC)OC)CC2C(C3CCN2CC3)O
InChI
InChI=1S/C17H25NO4/c1-20-14-9-11(10-15(21-2)17(14)22-3)8-13-16(19)12-4-6-18(13)7-5-12/h9-10,12-13,16,19H,4-8H2,1-3H3
InChIKey
CSOPYOZGEXBZJX-UHFFFAOYSA-N
Compound name
2-[(3,4,5-trimethoxyphenyl)methyl]-1-azabicyclo[2.2.2]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.17834 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.18562 172.9
[M+Na]+ 330.16756 177.1
[M-H]- 306.17106 170.1
[M+NH4]+ 325.21216 190.5
[M+K]+ 346.14150 174.7
[M+H-H2O]+ 290.17560 165.8
[M+HCOO]- 352.17654 181.2
[M+CH3COO]- 366.19219 210.3
[M+Na-2H]- 328.15301 179.6
[M]+ 307.17779 178.1
[M]- 307.17889 178.1
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.