CID 198208

39900-95-3

Structural Information

Molecular Formula

C₁₆H₁₆N₂O₂

SMILES

CN(C)C1=CC=C(C=C1)C=NC2=CC=CC=C2C(=O)O

InChI

InChI=1S/C16H16N2O2/c1-18(2)13-9-7-12(8-10-13)11-17-15-6-4-3-5-14(15)16(19)20/h3-11H,1-2H3,(H,19,20)

InChIKey

POYMPTXRBMLDIL-UHFFFAOYSA-N

Compound name

2-[[4-(dimethylamino)phenyl]methylideneamino]benzoic acid

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 268.1212 Da
Monoisotopic Mass: 2.9
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]+	269.128476	161.6
[M+Na]+	291.110418	167.8
[M-H]-	267.113924	169.8
[M+NH4]+	286.155023	177.8
[M+K]+	307.084358	165.3
[M+H-H2O]+	251.118460	153.1
[M+HCOO]-	313.119401	187.6
[M+CH3COO]-	327.135051	206.3
[M+Na-2H]-	289.095866	165.9
[M]+	268.12065142	162.7
[M]-	268.12174858	162.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.