CID 3059409

76362-21-5

Structural Information

Molecular Formula
C23H27NO3
SMILES
CCC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3COC4=CC=CC=C4O3
InChI
InChI=1S/C23H27NO3/c1-2-17-7-9-18(10-8-17)23(25)19-11-13-24(14-12-19)15-20-16-26-21-5-3-4-6-22(21)27-20/h3-10,19-20H,2,11-16H2,1H3
InChIKey
FOEOMJWNJUELSZ-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-ethylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

365.1991 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.20638 190.4
[M+Na]+ 388.18832 204.7
[M+NH4]+ 383.23292 198.5
[M+K]+ 404.16226 196.5
[M-H]- 364.19182 199.3
[M+Na-2H]- 386.17377 196.7
[M]+ 365.19855 195.1
[M]- 365.19965 195.1
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

patents stripe