CID 22397

Ethylphenyl malonic acid 2-(diethylamino)ethyl ethyl ester hydrobromide

Structural Information

Molecular Formula
C19H29NO4
SMILES
CCN(CC)CCOC(=O)C(CCC1=CC=CC=C1)C(=O)OCC
InChI
InChI=1S/C19H29NO4/c1-4-20(5-2)14-15-24-19(22)17(18(21)23-6-3)13-12-16-10-8-7-9-11-16/h7-11,17H,4-6,12-15H2,1-3H3
InChIKey
XPHUNOHGEZFKPM-UHFFFAOYSA-N
Compound name
1-O-[2-(diethylamino)ethyl] 3-O-ethyl 2-(2-phenylethyl)propanedioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20966 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.21694 185.5
[M+Na]+ 358.19888 187.6
[M-H]- 334.20238 188.8
[M+NH4]+ 353.24348 199.0
[M+K]+ 374.17282 187.1
[M+H-H2O]+ 318.20692 177.0
[M+HCOO]- 380.20786 206.5
[M+CH3COO]- 394.22351 217.2
[M+Na-2H]- 356.18433 184.2
[M]+ 335.20911 191.8
[M]- 335.21021 191.8
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.