CID 41649

55878-90-5

Structural Information

Molecular Formula

C₂₀H₂₀ClNO₄

SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C(=C2)CN(C)C)O)Cl)C3=CC=CC=C3

InChI

InChI=1S/C20H20ClNO4/c1-4-25-20(24)16-15-14(26-19(16)12-8-6-5-7-9-12)10-13(11-22(2)3)18(23)17(15)21/h5-10,23H,4,11H2,1-3H3

InChIKey

LGCMAHMPEBOPGH-UHFFFAOYSA-N

Compound name

ethyl 4-chloro-6-[(dimethylamino)methyl]-5-hydroxy-2-phenyl-1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 373.1081 Da
Monoisotopic Mass: 4.3
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]+	374.115376	188.4
[M+Na]+	396.097318	198.5
[M-H]-	372.100824	197.9
[M+NH4]+	391.141923	203.3
[M+K]+	412.071258	194.9
[M+H-H2O]+	356.105360	181.7
[M+HCOO]-	418.106301	207.1
[M+CH3COO]-	432.121951	220.4
[M+Na-2H]-	394.082766	189.4
[M]+	373.10755142	198.5
[M]-	373.10864858	198.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe