CID 200623

2362-26-7

Structural Information

Molecular Formula

C₂₀H₁₈N₄O₂

SMILES

C1=CC(=CC=C1C(=O)NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)N)N

InChI

InChI=1S/C20H18N4O2/c21-15-5-1-13(2-6-15)19(25)23-17-9-11-18(12-10-17)24-20(26)14-3-7-16(22)8-4-14/h1-12H,21-22H2,(H,23,25)(H,24,26)

InChIKey

LGTGOCSQAOUUFP-UHFFFAOYSA-N

Compound name

4-amino-N-[4-[(4-aminobenzoyl)amino]phenyl]benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 836
Patents: 346.14297 Da
Monoisotopic Mass: 2.2
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]+	347.15025	184.6
[M+Na]+	369.13219	196.0
[M+NH4]+	364.17679	191.0
[M+K]+	385.10613	189.4
[M-H]-	345.13569	192.1
[M+Na-2H]-	367.11764	193.8
[M]+	346.14242	188.0
[M]-	346.14352	188.0

Literature stripe

literature stripe

Patent stripe

patents stripe