CID 3059407

76362-18-0

Structural Information

Molecular Formula
C22H25NO3
SMILES
CC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3COC4=CC=CC=C4O3
InChI
InChI=1S/C22H25NO3/c1-16-6-8-17(9-7-16)22(24)18-10-12-23(13-11-18)14-19-15-25-20-4-2-3-5-21(20)26-19/h2-9,18-19H,10-15H2,1H3
InChIKey
HKEAAWNKOMFNQO-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methylphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

351.18344 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.19072 185.9
[M+Na]+ 374.17266 200.4
[M+NH4]+ 369.21726 194.2
[M+K]+ 390.14660 192.5
[M-H]- 350.17616 194.8
[M+Na-2H]- 372.15811 192.5
[M]+ 351.18289 190.6
[M]- 351.18399 190.6
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