CID 40210

52073-17-3

Structural Information

Molecular Formula
C20H29NO6
SMILES
CC1=C(C(=C(C=C1)C(C)C)OCC(=O)OCCN2CCOCC2)C(=O)OC
InChI
InChI=1S/C20H29NO6/c1-14(2)16-6-5-15(3)18(20(23)24-4)19(16)27-13-17(22)26-12-9-21-7-10-25-11-8-21/h5-6,14H,7-13H2,1-4H3
InChIKey
ISJYJYCUFQBHMN-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-[2-(2-morpholin-4-ylethoxy)-2-oxoethoxy]-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1995 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.20678 191.1
[M+Na]+ 402.18872 194.2
[M-H]- 378.19222 195.8
[M+NH4]+ 397.23332 199.9
[M+K]+ 418.16266 194.5
[M+H-H2O]+ 362.19676 181.8
[M+HCOO]- 424.19770 205.6
[M+CH3COO]- 438.21335 219.6
[M+Na-2H]- 400.17417 188.7
[M]+ 379.19895 195.6
[M]- 379.20005 195.6
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.