CID 363154

Nsc627740

Structural Information

Molecular Formula

C₁₆H₁₄N₂O₂

SMILES

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

InChI

InChI=1S/C16H14N2O2/c19-16(20)10-17-9-13-11-5-1-3-7-14(11)18-15-8-4-2-6-12(13)15/h1-8,17H,9-10H2,(H,19,20)

InChIKey

JLWPUIDGVMRIRM-UHFFFAOYSA-N

Compound name

2-(acridin-9-ylmethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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	157.6
[M+Na]+	289.094748	166.1
[M-H]-	265.098254	160.6
[M+NH4]+	284.139353	173.8
[M+K]+	305.068688	160.8
[M+H-H2O]+	249.102790	149.6
[M+HCOO]-	311.103731	178.7
[M+CH3COO]-	325.119381	169.2
[M+Na-2H]-	287.080196	167.1
[M]+	266.10498142	159.2
[M]-	266.10607858	159.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.