CID 39812

50836-05-0

Structural Information

Molecular Formula
C21H23NO5
SMILES
C1COCCN1CCOC(=O)CC2(OC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C21H23NO5/c23-20(25-15-12-22-10-13-24-14-11-22)16-21(17-6-2-1-3-7-17)26-18-8-4-5-9-19(18)27-21/h1-9H,10-16H2
InChIKey
SGZHFQWXEFHSGK-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.15762 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.164896 186.4
[M+Na]+ 392.146838 190.4
[M-H]- 368.150344 196.1
[M+NH4]+ 387.191443 196.6
[M+K]+ 408.120778 190.7
[M+H-H2O]+ 352.154880 177.1
[M+HCOO]- 414.155821 200.4
[M+CH3COO]- 428.171471 195.7
[M+Na-2H]- 390.132286 190.1
[M]+ 369.15707142 187.6
[M]- 369.15816858 187.6
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

No patent data available for this compound.