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

1
Patents

351.16818 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.175456 181.5
[M+Na]+ 374.157398 185.2
[M-H]- 350.160904 187.9
[M+NH4]+ 369.202003 192.9
[M+K]+ 390.131338 187.0
[M+H-H2O]+ 334.165440 173.6
[M+HCOO]- 396.166381 195.4
[M+CH3COO]- 410.182031 208.8
[M+Na-2H]- 372.142846 185.4
[M]+ 351.16763142 185.9
[M]- 351.16872858 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