CID 3059401

76362-13-5

Structural Information

Molecular Formula
C22H25NO4
SMILES
COC1=CC=C(C=C1)C(=O)C2CCN(CC2)CC3COC4=CC=CC=C4O3
InChI
InChI=1S/C22H25NO4/c1-25-18-8-6-16(7-9-18)22(24)17-10-12-23(13-11-17)14-19-15-26-20-4-2-3-5-21(20)27-19/h2-9,17,19H,10-15H2,1H3
InChIKey
YOMQPITYROBEFF-UHFFFAOYSA-N
Compound name
[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-(4-methoxyphenyl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

367.17834 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.18562 188.8
[M+Na]+ 390.16756 192.0
[M-H]- 366.17106 197.4
[M+NH4]+ 385.21216 196.7
[M+K]+ 406.14150 190.2
[M+H-H2O]+ 350.17560 177.6
[M+HCOO]- 412.17654 200.8
[M+CH3COO]- 426.19219 196.9
[M+Na-2H]- 388.15301 190.7
[M]+ 367.17779 186.4
[M]- 367.17889 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

patents stripe