CID 96593

73825-82-8

Structural Information

Molecular Formula
C15H22N2O3
SMILES
COC1=CC(=CC(=C1OC)OC)C2N3CCCN2CC3
InChI
InChI=1S/C15H22N2O3/c1-18-12-9-11(10-13(19-2)14(12)20-3)15-16-5-4-6-17(15)8-7-16/h9-10,15H,4-8H2,1-3H3
InChIKey
DBUJZTZENMAQNW-UHFFFAOYSA-N
Compound name
8-(3,4,5-trimethoxyphenyl)-1,5-diazabicyclo[3.2.1]octane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 165.4
[M+Na]+ 301.15228 172.4
[M-H]- 277.15578 168.5
[M+NH4]+ 296.19688 182.4
[M+K]+ 317.12622 169.9
[M+H-H2O]+ 261.16032 157.2
[M+HCOO]- 323.16126 181.9
[M+CH3COO]- 337.17691 201.2
[M+Na-2H]- 299.13773 167.4
[M]+ 278.16251 167.4
[M]- 278.16361 167.4
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

patents stripe