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]+ 352.21184 185.1
[M+Na]+ 374.19378 189.9
[M-H]- 350.19728 189.6
[M+NH4]+ 369.23838 198.9
[M+K]+ 390.16772 190.3
[M+H-H2O]+ 334.20182 177.4
[M+HCOO]- 396.20276 206.4
[M+CH3COO]- 410.21841 223.0
[M+Na-2H]- 372.17923 182.2
[M]+ 351.20401 194.2
[M]- 351.20511 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.