CID 39812

2-morpholinoethyl 2-phenyl-1,3-benzodioxole-2-acetate maleate

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]+ 370.16490 186.8
[M+Na]+ 392.14684 199.2
[M+NH4]+ 387.19144 195.2
[M+K]+ 408.12078 193.1
[M-H]- 368.15034 195.1
[M+Na-2H]- 390.13229 193.1
[M]+ 369.15707 191.1
[M]- 369.15817 191.1
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.