CID 3085208

60883-72-9

Structural Information

Molecular Formula
C22H29NO3
SMILES
CCN(CC)CCOC(=O)C(CC1=CC=C(C=C1)OC)C2=CC=CC=C2
InChI
InChI=1S/C22H29NO3/c1-4-23(5-2)15-16-26-22(24)21(19-9-7-6-8-10-19)17-18-11-13-20(25-3)14-12-18/h6-14,21H,4-5,15-17H2,1-3H3
InChIKey
CQPQMXYPCFOBJF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 3-(4-methoxyphenyl)-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.21475 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.222026 190.2
[M+Na]+ 378.203968 193.0
[M-H]- 354.207474 196.9
[M+NH4]+ 373.248573 202.7
[M+K]+ 394.177908 190.8
[M+H-H2O]+ 338.212010 180.5
[M+HCOO]- 400.212951 212.1
[M+CH3COO]- 414.228601 221.5
[M+Na-2H]- 376.189416 190.3
[M]+ 355.21420142 195.2
[M]- 355.21529858 195.2
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.