CID 39930

P-(9-acridinylamino)benzoic acid methyl ester hydrochloride

Structural Information

Molecular Formula

C₂₁H₁₆N₂O₂

SMILES

COC(=O)C1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42

InChI

InChI=1S/C21H16N2O2/c1-25-21(24)14-10-12-15(13-11-14)22-20-16-6-2-4-8-18(16)23-19-9-5-3-7-17(19)20/h2-13H,1H3,(H,22,23)

InChIKey

MLKVTCNOWUQOQC-UHFFFAOYSA-N

Compound name

methyl 4-(acridin-9-ylamino)benzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 328.1212 Da
Monoisotopic Mass: 4.9
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]+	329.128476	176.1
[M+Na]+	351.110418	184.9
[M-H]-	327.113924	183.5
[M+NH4]+	346.155023	190.0
[M+K]+	367.084358	178.8
[M+H-H2O]+	311.118460	165.9
[M+HCOO]-	373.119401	197.9
[M+CH3COO]-	387.135051	187.2
[M+Na-2H]-	349.095866	184.8
[M]+	328.12065142	178.5
[M]-	328.12174858	178.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.