CID 135424170

28332-99-2

Structural Information

Molecular Formula
C14H9NO4
SMILES
C1=CC=C2C(=C1)C(=C3C(=CC(=CC3=N2)O)O)C(=O)O
InChI
InChI=1S/C14H9NO4/c16-7-5-10-13(11(17)6-7)12(14(18)19)8-3-1-2-4-9(8)15-10/h1-6,16-17H,(H,18,19)
InChIKey
JYTNCILGSJWIDM-UHFFFAOYSA-N
Compound name
1,3-dihydroxyacridine-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

255.05316 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.060436 152.2
[M+Na]+ 278.042378 163.2
[M-H]- 254.045884 153.8
[M+NH4]+ 273.086983 168.3
[M+K]+ 294.016318 158.2
[M+H-H2O]+ 238.050420 145.6
[M+HCOO]- 300.051361 170.2
[M+CH3COO]- 314.067011 164.3
[M+Na-2H]- 276.027826 160.0
[M]+ 255.05261142 154.0
[M]- 255.05370858 154.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe