CID 3039595

1,3-benzodioxole-2-acetic acid, 2-methyl-, 2-(2-(4-morpholinyl)ethoxy)ethyl ester, ethanedioate

Structural Information

Molecular Formula
C18H25NO6
SMILES
CC1(OC2=CC=CC=C2O1)CC(=O)OCCOCCN3CCOCC3
InChI
InChI=1S/C18H25NO6/c1-18(24-15-4-2-3-5-16(15)25-18)14-17(20)23-13-12-22-11-8-19-6-9-21-10-7-19/h2-5H,6-14H2,1H3
InChIKey
XAQFGJSJXCZPKQ-UHFFFAOYSA-N
Compound name
2-(2-morpholin-4-ylethoxy)ethyl 2-(2-methyl-1,3-benzodioxol-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.16818 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.17546 181.5
[M+Na]+ 374.15740 185.2
[M-H]- 350.16090 187.9
[M+NH4]+ 369.20200 192.9
[M+K]+ 390.13134 187.0
[M+H-H2O]+ 334.16544 173.6
[M+HCOO]- 396.16638 195.4
[M+CH3COO]- 410.18203 208.8
[M+Na-2H]- 372.14285 185.4
[M]+ 351.16763 185.9
[M]- 351.16873 185.9
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