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]+ 336.216936 183.2
[M+Na]+ 358.198878 186.9
[M-H]- 334.202384 187.9
[M+NH4]+ 353.243483 194.1
[M+K]+ 374.172818 186.1
[M+H-H2O]+ 318.206920 174.1
[M+HCOO]- 380.207861 198.3
[M+CH3COO]- 394.223511 212.7
[M+Na-2H]- 356.184326 182.0
[M]+ 335.20911142 185.8
[M]- 335.21020858 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.