CID 22221

Ro 5-6574

Structural Information

Molecular Formula

C₂₁H₂₈N₂O₄

SMILES

CCOC1=C(C=C(C=C1)C(=O)NCC2=CC=C(C=C2)OCCNC)OCC

InChI

InChI=1S/C21H28N2O4/c1-4-25-19-11-8-17(14-20(19)26-5-2)21(24)23-15-16-6-9-18(10-7-16)27-13-12-22-3/h6-11,14,22H,4-5,12-13,15H2,1-3H3,(H,23,24)

InChIKey

IZKSBKIVEJBRSO-UHFFFAOYSA-N

Compound name

3,4-diethoxy-N-[[4-[2-(methylamino)ethoxy]phenyl]methyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 372.2049 Da
Monoisotopic Mass: 3.2
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]+	373.212176	190.8
[M+Na]+	395.194118	194.8
[M-H]-	371.197624	196.8
[M+NH4]+	390.238723	202.2
[M+K]+	411.168058	191.9
[M+H-H2O]+	355.202160	181.0
[M+HCOO]-	417.203101	214.7
[M+CH3COO]-	431.218751	224.2
[M+Na-2H]-	393.179566	192.7
[M]+	372.20435142	196.3
[M]-	372.20544858	196.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe