CID 40695

Brn 2774710

Structural Information

Molecular Formula
C20H31NO5
SMILES
CCOC(=O)C1=C(C=CC(=C1OCC(=O)OCCCN(C)C)C(C)C)C
InChI
InChI=1S/C20H31NO5/c1-7-24-20(23)18-15(4)9-10-16(14(2)3)19(18)26-13-17(22)25-12-8-11-21(5)6/h9-10,14H,7-8,11-13H2,1-6H3
InChIKey
RKBPFDSABQZWQQ-UHFFFAOYSA-N
Compound name
ethyl 2-[2-[3-(dimethylamino)propoxy]-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]+ 366.22748 189.8
[M+Na]+ 388.20942 194.1
[M-H]- 364.21292 194.1
[M+NH4]+ 383.25402 203.0
[M+K]+ 404.18336 194.4
[M+H-H2O]+ 348.21746 181.9
[M+HCOO]- 410.21840 210.7
[M+CH3COO]- 424.23405 225.9
[M+Na-2H]- 386.19487 186.3
[M]+ 365.21965 199.2
[M]- 365.22075 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.