CID 44234

3-acridin-9-ylalanine

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)CC(C(=O)O)N

InChI

InChI=1S/C16H14N2O2/c17-13(16(19)20)9-12-10-5-1-3-7-14(10)18-15-8-4-2-6-11(12)15/h1-8,13H,9,17H2,(H,19,20)

InChIKey

TVENYZXWOKGGHI-UHFFFAOYSA-N

Compound name

3-acridin-9-yl-2-aminopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 266.10553 Da
Monoisotopic Mass: 0.2
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]+	267.112806	158.7
[M+Na]+	289.094748	166.9
[M-H]-	265.098254	161.3
[M+NH4]+	284.139353	174.5
[M+K]+	305.068688	161.9
[M+H-H2O]+	249.102790	151.0
[M+HCOO]-	311.103731	178.1
[M+CH3COO]-	325.119381	169.9
[M+Na-2H]-	287.080196	165.9
[M]+	266.10498142	158.7
[M]-	266.10607858	158.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe