CID 11067475

101904-51-2

Structural Information

Molecular Formula
C20H14N2O3
SMILES
C1=CC=C(C=C1)NC2=C(C=C3C(=C2)C(=O)C4=CC=CC=C4N3)C(=O)O
InChI
InChI=1S/C20H14N2O3/c23-19-13-8-4-5-9-16(13)22-17-11-15(20(24)25)18(10-14(17)19)21-12-6-2-1-3-7-12/h1-11,21H,(H,22,23)(H,24,25)
InChIKey
HKQTUROKKAXNFP-UHFFFAOYSA-N
Compound name
2-anilino-9-oxo-10H-acridine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
Patents

330.10043 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.10771 173.7
[M+Na]+ 353.08965 182.9
[M-H]- 329.09315 179.0
[M+NH4]+ 348.13425 186.2
[M+K]+ 369.06359 175.9
[M+H-H2O]+ 313.09769 164.5
[M+HCOO]- 375.09863 193.2
[M+CH3COO]- 389.11428 184.1
[M+Na-2H]- 351.07510 181.6
[M]+ 330.09988 173.6
[M]- 330.10098 173.6
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

patents stripe