CID 248375

6957-84-2

Structural Information

Molecular Formula

C₂₂H₂₀N₂O₂

SMILES

CC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C

InChI

InChI=1S/C22H20N2O2/c1-15-7-3-5-9-19(15)23-21(25)17-11-13-18(14-12-17)22(26)24-20-10-6-4-8-16(20)2/h3-14H,1-2H3,(H,23,25)(H,24,26)

InChIKey

NQDLWWKEAPRXNA-UHFFFAOYSA-N

Compound name

1-N,4-N-bis(2-methylphenyl)benzene-1,4-dicarboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 1
Patents: 344.15247 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]+	345.159746	183.4
[M+Na]+	367.141688	188.7
[M-H]-	343.145194	193.0
[M+NH4]+	362.186293	195.4
[M+K]+	383.115628	183.6
[M+H-H2O]+	327.149730	173.5
[M+HCOO]-	389.150671	207.1
[M+CH3COO]-	403.166321	218.4
[M+Na-2H]-	365.127136	186.0
[M]+	344.15192142	182.4
[M]-	344.15301858	182.4

Literature stripe

literature stripe

Patent stripe

patents stripe