CID 3062169

Brn 5309985

Structural Information

Molecular Formula

C₂₂H₂₂N₂O₄

SMILES

CC1=CC(=O)C(=C(N1C2=CC=CC=C2OC)C)C(=O)NC3=CC=CC=C3OC

InChI

InChI=1S/C22H22N2O4/c1-14-13-18(25)21(22(26)23-16-9-5-7-11-19(16)27-3)15(2)24(14)17-10-6-8-12-20(17)28-4/h5-13H,1-4H3,(H,23,26)

InChIKey

KQEHSCPNXKOXRY-UHFFFAOYSA-N

Compound name

N,1-bis(2-methoxyphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 378.15796 Da
Monoisotopic Mass: 3.6
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]+	379.165236	190.8
[M+Na]+	401.147178	199.4
[M-H]-	377.150684	200.1
[M+NH4]+	396.191783	201.1
[M+K]+	417.121118	195.1
[M+H-H2O]+	361.155220	180.0
[M+HCOO]-	423.156161	213.3
[M+CH3COO]-	437.171811	223.9
[M+Na-2H]-	399.132626	192.0
[M]+	378.15741142	195.5
[M]-	378.15850858	195.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.