CID 57622

3638 ct

Structural Information

Molecular Formula
C22H25NO4
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)CN4CCCCC4
InChI
InChI=1S/C22H25NO4/c1-25-18-8-5-16(6-9-18)22(24)17-7-10-20-21(13-17)27-19(15-26-20)14-23-11-3-2-4-12-23/h5-10,13,19H,2-4,11-12,14-15H2,1H3
InChIKey
NCAXMKFOPZKDCA-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[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

367.17834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.185616 188.8
[M+Na]+ 390.167558 192.0
[M-H]- 366.171064 197.4
[M+NH4]+ 385.212163 196.7
[M+K]+ 406.141498 190.2
[M+H-H2O]+ 350.175600 177.6
[M+HCOO]- 412.176541 200.8
[M+CH3COO]- 426.192191 196.9
[M+Na-2H]- 388.153006 190.7
[M]+ 367.17779142 186.4
[M]- 367.17888858 186.4
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.