CID 10286834

Azd-3043

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
3
Annotation Hits

11
References

66
Patents

351.20456 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.21184 185.3
[M+Na]+ 374.19378 193.8
[M+NH4]+ 369.23838 189.8
[M+K]+ 390.16772 188.9
[M-H]- 350.19728 185.4
[M+Na-2H]- 372.17923 187.7
[M]+ 351.20401 186.1
[M]- 351.20511 186.1
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