CID 10286834

579494-66-9

Structural Information

Molecular Formula
C19H29NO5
SMILES
CCCOC(=O)CC1=CC(=C(C=C1)OCC(=O)N(CC)CC)OCC
InChI
InChI=1S/C19H29NO5/c1-5-11-24-19(22)13-15-9-10-16(17(12-15)23-8-4)25-14-18(21)20(6-2)7-3/h9-10,12H,5-8,11,13-14H2,1-4H3
InChIKey
QPUVKSKJCNGSGT-UHFFFAOYSA-N
Compound name
propyl 2-[4-[2-(diethylamino)-2-oxoethoxy]-3-ethoxyphenyl]acetate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

11
References

74
Patents

351.20456 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.211836 186.4
[M+Na]+ 374.193778 190.4
[M-H]- 350.197284 190.4
[M+NH4]+ 369.238383 199.8
[M+K]+ 390.167718 190.2
[M+H-H2O]+ 334.201820 178.0
[M+HCOO]- 396.202761 208.6
[M+CH3COO]- 410.218411 220.8
[M+Na-2H]- 372.179226 185.2
[M]+ 351.20401142 195.6
[M]- 351.20510858 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

literature stripe

Patent stripe

patents stripe