CID 13839876

4-amino-n-(4-amino-2-methoxyphenyl)benzamide

Structural Information

Molecular Formula

C₁₄H₁₅N₃O₂

SMILES

COC1=C(C=CC(=C1)N)NC(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C14H15N3O2/c1-19-13-8-11(16)6-7-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,15-16H2,1H3,(H,17,18)

InChIKey

ZNVDOKOOMPHOSP-UHFFFAOYSA-N

Compound name

4-amino-N-(4-amino-2-methoxyphenyl)benzamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 283
Patents: 257.11642 Da
Monoisotopic Mass: 1.6
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]+	258.123696	158.0
[M+Na]+	280.105638	164.8
[M-H]-	256.109144	164.4
[M+NH4]+	275.150243	173.6
[M+K]+	296.079578	161.4
[M+H-H2O]+	240.113680	149.9
[M+HCOO]-	302.114621	183.8
[M+CH3COO]-	316.130271	203.2
[M+Na-2H]-	278.091086	161.7
[M]+	257.11587142	155.6
[M]-	257.11696858	155.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe