CID 40208

Brn 2773586

Structural Information

Molecular Formula
C19H29NO5
SMILES
CCOC(=O)C1=C(C=CC(=C1OCC(=O)OCCN(C)C)C(C)C)C
InChI
InChI=1S/C19H29NO5/c1-7-23-19(22)17-14(4)8-9-15(13(2)3)18(17)25-12-16(21)24-11-10-20(5)6/h8-9,13H,7,10-12H2,1-6H3
InChIKey
LXACVVADKCRIQI-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[2-(dimethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.20456 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.211836 185.1
[M+Na]+ 374.193778 189.9
[M-H]- 350.197284 189.6
[M+NH4]+ 369.238383 198.9
[M+K]+ 390.167718 190.3
[M+H-H2O]+ 334.201820 177.4
[M+HCOO]- 396.202761 206.4
[M+CH3COO]- 410.218411 223.0
[M+Na-2H]- 372.179226 182.2
[M]+ 351.20401142 194.2
[M]- 351.20510858 194.2
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.