CID 47832

2-(p-(9-acridinylamino)phenyl)butyric acid, hydrochloride

Structural Information

Molecular Formula

C₂₃H₂₀N₂O₂

SMILES

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

InChI

InChI=1S/C23H20N2O2/c1-2-17(23(26)27)15-11-13-16(14-12-15)24-22-18-7-3-5-9-20(18)25-21-10-6-4-8-19(21)22/h3-14,17H,2H2,1H3,(H,24,25)(H,26,27)

InChIKey

YZYCRCDYZBIVTR-UHFFFAOYSA-N

Compound name

2-[4-(acridin-9-ylamino)phenyl]butanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 356.15247 Da
Monoisotopic Mass: 5.5
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]+	357.159746	184.6
[M+Na]+	379.141688	191.5
[M-H]-	355.145194	190.2
[M+NH4]+	374.186293	196.3
[M+K]+	395.115628	184.9
[M+H-H2O]+	339.149730	174.5
[M+HCOO]-	401.150671	203.1
[M+CH3COO]-	415.166321	193.9
[M+Na-2H]-	377.127136	190.7
[M]+	356.15192142	185.4
[M]-	356.15301858	185.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.