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 190.7
[M+Na]+ 388.18832 193.6
[M-H]- 364.19182 199.0
[M+NH4]+ 383.23292 198.8
[M+K]+ 404.16226 190.9
[M+H-H2O]+ 348.19636 179.5
[M+HCOO]- 410.19730 202.1
[M+CH3COO]- 424.21295 198.5
[M+Na-2H]- 386.17377 191.8
[M]+ 365.19855 187.1
[M]- 365.19965 187.1
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