CID 30230

M-methyl red

Structural Information

Molecular Formula

C₁₅H₁₅N₃O₂

SMILES

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

InChI

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

InChIKey

JAMPLPMVLCTBSB-UHFFFAOYSA-N

Compound name

3-[[4-(dimethylamino)phenyl]diazenyl]benzoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
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	162.2
[M+Na]+	292.10564	174.3
[M+NH4]+	287.15024	169.8
[M+K]+	308.07958	167.8
[M-H]-	268.10914	168.2
[M+Na-2H]-	290.09109	171.5
[M]+	269.11587	165.4
[M]-	269.11697	165.4

Literature stripe

literature stripe

Patent stripe

patents stripe