CID 39822

50836-20-9

Structural Information

Molecular Formula
C23H27NO6
SMILES
C1COCCN1CCOCCOC(=O)CC2(OC3=CC=CC=C3O2)C4=CC=CC=C4
InChI
InChI=1S/C23H27NO6/c25-22(28-17-16-27-15-12-24-10-13-26-14-11-24)18-23(19-6-2-1-3-7-19)29-20-8-4-5-9-21(20)30-23/h1-9H,10-18H2
InChIKey
LRBDODDAVICACY-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethoxy)ethyl 2-(2-phenyl-1,3-benzodioxol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.18384 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.19112 197.5
[M+Na]+ 436.17306 200.2
[M-H]- 412.17656 206.7
[M+NH4]+ 431.21766 205.7
[M+K]+ 452.14700 200.9
[M+H-H2O]+ 396.18110 187.6
[M+HCOO]- 458.18204 210.9
[M+CH3COO]- 472.19769 205.7
[M+Na-2H]- 434.15851 200.3
[M]+ 413.18329 200.7
[M]- 413.18439 200.7
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