CID 93606

57269-26-8

Structural Information

Molecular Formula
C17H24N2O2
SMILES
CCOC1=CC=C(C=C1)CC(=O)N2CCC3CC2N(C3)C
InChI
InChI=1S/C17H24N2O2/c1-3-21-15-6-4-13(5-7-15)11-17(20)19-9-8-14-10-16(19)18(2)12-14/h4-7,14,16H,3,8-12H2,1-2H3
InChIKey
HJTDDXNJTFACCQ-UHFFFAOYSA-N
Compound name
2-(4-ethoxyphenyl)-1-(7-methyl-2,7-diazabicyclo[3.2.1]octan-2-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]+ 289.19106 171.0
[M+Na]+ 311.17300 176.5
[M-H]- 287.17650 173.5
[M+NH4]+ 306.21760 187.3
[M+K]+ 327.14694 172.8
[M+H-H2O]+ 271.18104 162.5
[M+HCOO]- 333.18198 185.9
[M+CH3COO]- 347.19763 203.2
[M+Na-2H]- 309.15845 171.3
[M]+ 288.18323 170.5
[M]- 288.18433 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.