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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04848 156.4
[M+Na]+ 297.03042 170.9
[M+NH4]+ 292.07502 164.6
[M+K]+ 313.00436 162.8
[M-H]- 273.03392 158.7
[M+Na-2H]- 295.01587 163.3
[M]+ 274.04065 159.7
[M]- 274.04175 159.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.