CID 46671

64046-86-2

Structural Information

Molecular Formula

C₁₃H₁₀N₂O₃S

SMILES

C1=CC(=CC2=NC3=C(C=C21)C=C(C=C3)S(=O)(=O)O)N

InChI

InChI=1S/C13H10N2O3S/c14-10-2-1-8-5-9-6-11(19(16,17)18)3-4-12(9)15-13(8)7-10/h1-7H,14H2,(H,16,17,18)

InChIKey

VFLMIPREASACDX-UHFFFAOYSA-N

Compound name

6-aminoacridine-2-sulfonic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 274.0412 Da
Monoisotopic Mass: 1.5
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]+	275.048476	156.3
[M+Na]+	297.030418	167.9
[M-H]-	273.033924	159.7
[M+NH4]+	292.075023	172.9
[M+K]+	313.004358	162.2
[M+H-H2O]+	257.038460	149.9
[M+HCOO]-	319.039401	172.4
[M+CH3COO]-	333.055051	168.6
[M+Na-2H]-	295.015866	165.3
[M]+	274.04065142	159.6
[M]-	274.04174858	159.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.