CID 40209

Brn 2774743

Structural Information

Molecular Formula
C20H31NO5
SMILES
CCN(CC)CCOC(=O)COC1=C(C=CC(=C1C(=O)OC)C)C(C)C
InChI
InChI=1S/C20H31NO5/c1-7-21(8-2)11-12-25-17(22)13-26-19-16(14(3)4)10-9-15(5)18(19)20(23)24-6/h9-10,14H,7-8,11-13H2,1-6H3
InChIKey
KLSLAJCPPHOEAM-UHFFFAOYSA-N
Compound name
methyl 2-[2-[2-(diethylamino)ethoxy]-2-oxoethoxy]-6-methyl-3-propan-2-ylbenzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.2202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.227476 189.8
[M+Na]+ 388.209418 194.1
[M-H]- 364.212924 194.1
[M+NH4]+ 383.254023 203.0
[M+K]+ 404.183358 194.4
[M+H-H2O]+ 348.217460 181.9
[M+HCOO]- 410.218401 210.7
[M+CH3COO]- 424.234051 225.9
[M+Na-2H]- 386.194866 186.3
[M]+ 365.21965142 199.2
[M]- 365.22074858 199.2
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.