CID 6857950

3-(2-furyl)-2-phenylacrylic acid 2-(diethylamino)ethyl ester hydrochloride

Structural Information

Molecular Formula
C19H23NO3
SMILES
CCN(CC)CCOC(=O)/C(=C\C1=CC=CO1)/C2=CC=CC=C2
InChI
InChI=1S/C19H23NO3/c1-3-20(4-2)12-14-23-19(21)18(15-17-11-8-13-22-17)16-9-6-5-7-10-16/h5-11,13,15H,3-4,12,14H2,1-2H3/b18-15-
InChIKey
KEOQQBRZEYOQLH-SDXDJHTJSA-N
Compound name
2-(diethylamino)ethyl (Z)-3-(furan-2-yl)-2-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1678 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.17508 179.4
[M+Na]+ 336.15702 183.0
[M-H]- 312.16052 187.1
[M+NH4]+ 331.20162 194.0
[M+K]+ 352.13096 181.8
[M+H-H2O]+ 296.16506 171.0
[M+HCOO]- 358.16600 202.4
[M+CH3COO]- 372.18165 210.0
[M+Na-2H]- 334.14247 180.1
[M]+ 313.16725 183.5
[M]- 313.16835 183.5
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.