CID 11347513

179688-27-8

Structural Information

Molecular Formula

C₁₅H₂₃NO₆

SMILES

CCOC(=O)C1=CC(=C(C=C1N)OCCOC)OCCOC

InChI

InChI=1S/C15H23NO6/c1-4-20-15(17)11-9-13(21-7-5-18-2)14(10-12(11)16)22-8-6-19-3/h9-10H,4-8,16H2,1-3H3

InChIKey

YZOWMIHUDJVXBH-UHFFFAOYSA-N

Compound name

ethyl 2-amino-4,5-bis(2-methoxyethoxy)benzoate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 152
Patents: 313.15253 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	314.15981	171.3
[M+Na]+	336.14175	177.4
[M-H]-	312.14525	174.2
[M+NH4]+	331.18635	185.7
[M+K]+	352.11569	177.2
[M+H-H2O]+	296.14979	163.5
[M+HCOO]-	358.15073	194.6
[M+CH3COO]-	372.16638	209.0
[M+Na-2H]-	334.12720	172.5
[M]+	313.15198	180.0
[M]-	313.15308	180.0

Literature stripe

literature stripe

Patent stripe

patents stripe