CID 93613

8-(p-ethoxyphenylacetyl)-3-methyl-3,8-diazabicyclo(3.2.1)octane

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCOC1=CC=C(C=C1)CC(=O)N2CC3CCN(C2C3)C
InChI
InChI=1S/C17H24N2O2/c1-3-21-15-6-4-13(5-7-15)11-17(20)19-12-14-8-9-18(2)16(19)10-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKey
MMLARFSTWFVGKU-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-1-(2-methyl-2,7-diazabicyclo[3.2.1]octan-7-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.18378 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.191056 171.0
[M+Na]+ 311.172998 176.5
[M-H]- 287.176504 173.5
[M+NH4]+ 306.217603 187.3
[M+K]+ 327.146938 172.8
[M+H-H2O]+ 271.181040 162.5
[M+HCOO]- 333.181981 185.9
[M+CH3COO]- 347.197631 203.2
[M+Na-2H]- 309.158446 171.3
[M]+ 288.18323142 170.5
[M]- 288.18432858 170.5
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.