CID 3069850

85388-74-5

Structural Information

Molecular Formula

C₂₂H₂₆N₂O₄

SMILES

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

InChI

InChI=1S/C22H26N2O4/c1-5-27-22(26)21-19(14-24(4)15-9-7-6-8-10-15)28-18-12-11-17(25)16(20(18)21)13-23(2)3/h6-12,25H,5,13-14H2,1-4H3

InChIKey

CNGNALRNTGNSIC-UHFFFAOYSA-N

Compound name

ethyl 4-[(dimethylamino)methyl]-5-hydroxy-2-[(N-methylanilino)methyl]-1-benzofuran-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 382.18927 Da
Monoisotopic Mass: 3.7
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]+	383.196546	194.8
[M+Na]+	405.178488	201.3
[M-H]-	381.181994	205.0
[M+NH4]+	400.223093	208.2
[M+K]+	421.152428	200.5
[M+H-H2O]+	365.186530	186.2
[M+HCOO]-	427.187471	218.8
[M+CH3COO]-	441.203121	229.9
[M+Na-2H]-	403.163936	195.8
[M]+	382.18872142	203.3
[M]-	382.18981858	203.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.