CID 19674

Ct 3570

Structural Information

Molecular Formula
C21H23NO3
SMILES
C1CCN(CC1)CC2COC3=C(O2)C=C(C=C3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H23NO3/c23-21(16-7-3-1-4-8-16)17-9-10-19-20(13-17)25-18(15-24-19)14-22-11-5-2-6-12-22/h1,3-4,7-10,13,18H,2,5-6,11-12,14-15H2
InChIKey
XPYBLWLHPWACFW-UHFFFAOYSA-N
Compound name
phenyl-[3-(piperidin-1-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.1678 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.17508 181.6
[M+Na]+ 360.15702 195.9
[M+NH4]+ 355.20162 190.0
[M+K]+ 376.13096 188.0
[M-H]- 336.16052 190.5
[M+Na-2H]- 358.14247 188.6
[M]+ 337.16725 186.2
[M]- 337.16835 186.2
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.