CID 201539

Benzilate

Structural Information

Molecular Formula
C26H37NO4
SMILES
CCCCCCOC1=CC=C(C=C1)C(C2=CC=CC=C2)(C(=O)OCCN(CC)CC)O
InChI
InChI=1S/C26H37NO4/c1-4-7-8-12-20-30-24-17-15-23(16-18-24)26(29,22-13-10-9-11-14-22)25(28)31-21-19-27(5-2)6-3/h9-11,13-18,29H,4-8,12,19-21H2,1-3H3
InChIKey
VTQHDICZORLCQT-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(4-hexoxyphenyl)-2-hydroxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

603
Patents

427.27225 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.27953 209.5
[M+Na]+ 450.26147 219.0
[M+NH4]+ 445.30607 214.5
[M+K]+ 466.23541 212.1
[M-H]- 426.26497 212.1
[M+Na-2H]- 448.24692 214.9
[M]+ 427.27170 211.5
[M]- 427.27280 211.5
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.