CID 22650

4-dimethylaminoazobenzene-4'-carboxylic acid

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

CN(C)C1=CC=C(C=C1)N=NC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H15N3O2/c1-18(2)14-9-7-13(8-10-14)17-16-12-5-3-11(4-6-12)15(19)20/h3-10H,1-2H3,(H,19,20)

InChIKey

WCKQPPQRFNHPRJ-UHFFFAOYSA-N

Compound name

4-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 92
References: 26499
Patents: 269.11642 Da
Monoisotopic Mass: 4.1
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]+	270.12370	160.8
[M+Na]+	292.10564	166.9
[M-H]-	268.10914	170.4
[M+NH4]+	287.15024	177.2
[M+K]+	308.07958	165.5
[M+H-H2O]+	252.11368	151.7
[M+HCOO]-	314.11462	189.6
[M+CH3COO]-	328.13027	210.9
[M+Na-2H]-	290.09109	166.5
[M]+	269.11587	162.6
[M]-	269.11697	162.6

Literature stripe

literature stripe

Patent stripe

patents stripe