CID 40217

Brn 0822406

Structural Information

Molecular Formula
C19H29NO4
SMILES
CCOC(=O)C1=C(C=CC(=C1OCCN2CCOCC2)C(C)C)C
InChI
InChI=1S/C19H29NO4/c1-5-23-19(21)17-15(4)6-7-16(14(2)3)18(17)24-13-10-20-8-11-22-12-9-20/h6-7,14H,5,8-13H2,1-4H3
InChIKey
DUTKSCXDHLBQRC-UHFFFAOYSA-N
Compound name
ethyl 6-methyl-2-(2-morpholin-4-ylethoxy)-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20966 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21694 183.2
[M+Na]+ 358.19888 186.9
[M-H]- 334.20238 187.9
[M+NH4]+ 353.24348 194.1
[M+K]+ 374.17282 186.1
[M+H-H2O]+ 318.20692 174.1
[M+HCOO]- 380.20786 198.3
[M+CH3COO]- 394.22351 212.7
[M+Na-2H]- 356.18433 182.0
[M]+ 335.20911 185.8
[M]- 335.21021 185.8
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.