CID 44258

Etersalate

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
1
Annotation Hits

7
References

3024
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

literature stripe

Patent stripe

patents stripe