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]+ 358.20128 187.6
[M+Na]+ 380.18322 190.9
[M-H]- 356.18672 193.4
[M+NH4]+ 375.22782 199.5
[M+K]+ 396.15716 188.9
[M+H-H2O]+ 340.19126 178.7
[M+HCOO]- 402.19220 208.0
[M+CH3COO]- 416.20785 217.8
[M+Na-2H]- 378.16867 190.2
[M]+ 357.19345 192.0
[M]- 357.19455 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.