CID 44258

Eterilate

Structural Information

Molecular Formula
C19H19NO6
SMILES
CC(=O)NC1=CC=C(C=C1)OCCOC(=O)C2=CC=CC=C2OC(=O)C
InChI
InChI=1S/C19H19NO6/c1-13(21)20-15-7-9-16(10-8-15)24-11-12-25-19(23)17-5-3-4-6-18(17)26-14(2)22/h3-10H,11-12H2,1-2H3,(H,20,21)
InChIKey
PXBFSRVXEKCBFP-UHFFFAOYSA-N
Compound name
2-(4-acetamidophenoxy)ethyl 2-acetyloxybenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

3286
Patents

357.12125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.12853 182.0
[M+Na]+ 380.11047 186.7
[M-H]- 356.11397 188.3
[M+NH4]+ 375.15507 193.7
[M+K]+ 396.08441 185.5
[M+H-H2O]+ 340.11851 172.9
[M+HCOO]- 402.11945 204.4
[M+CH3COO]- 416.13510 215.1
[M+Na-2H]- 378.09592 183.0
[M]+ 357.12070 187.1
[M]- 357.12180 187.1
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.