CID 57781

3639 ct

Structural Information

Molecular Formula
C21H23NO5
SMILES
COC1=CC=C(C=C1)C(=O)C2=CC3=C(C=C2)OCC(O3)CN4CCOCC4
InChI
InChI=1S/C21H23NO5/c1-24-17-5-2-15(3-6-17)21(23)16-4-7-19-20(12-16)27-18(14-26-19)13-22-8-10-25-11-9-22/h2-7,12,18H,8-11,13-14H2,1H3
InChIKey
GYJCXGWLQIFONC-UHFFFAOYSA-N
Compound name
(4-methoxyphenyl)-[3-(morpholin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

369.15762 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.164896 188.4
[M+Na]+ 392.146838 192.2
[M-H]- 368.150344 197.9
[M+NH4]+ 387.191443 194.9
[M+K]+ 408.120778 192.3
[M+H-H2O]+ 352.154880 177.4
[M+HCOO]- 414.155821 200.0
[M+CH3COO]- 428.171471 196.9
[M+Na-2H]- 390.132286 191.4
[M]+ 369.15707142 187.8
[M]- 369.15816858 187.8
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.