CID 215879

36616-34-9

Structural Information

Molecular Formula
C21H27NO4
SMILES
CCN(CC)CCOC(=O)C(C1=CC=CC=C1)(C2=CC=C(C=C2)OC)O
InChI
InChI=1S/C21H27NO4/c1-4-22(5-2)15-16-26-20(23)21(24,17-9-7-6-8-10-17)18-11-13-19(25-3)14-12-18/h6-14,24H,4-5,15-16H2,1-3H3
InChIKey
NGSUSFRXYRETME-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-hydroxy-2-(4-methoxyphenyl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.194 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.201276 187.6
[M+Na]+ 380.183218 190.9
[M-H]- 356.186724 193.4
[M+NH4]+ 375.227823 199.5
[M+K]+ 396.157158 188.9
[M+H-H2O]+ 340.191260 178.7
[M+HCOO]- 402.192201 208.0
[M+CH3COO]- 416.207851 217.8
[M+Na-2H]- 378.168666 190.2
[M]+ 357.19345142 192.0
[M]- 357.19454858 192.0
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.