CID 47479

64894-83-3

Structural Information

Molecular Formula
C20H14N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)C(=O)O
InChI
InChI=1S/C20H14N2O2/c23-20(24)13-9-11-14(12-10-13)21-19-15-5-1-3-7-17(15)22-18-8-4-2-6-16(18)19/h1-12H,(H,21,22)(H,23,24)
InChIKey
FNNMCOQMDNRQHG-UHFFFAOYSA-N
Compound name
4-(acridin-9-ylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

314.10553 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.11281 170.8
[M+Na]+ 337.09475 179.5
[M-H]- 313.09825 177.0
[M+NH4]+ 332.13935 184.4
[M+K]+ 353.06869 172.9
[M+H-H2O]+ 297.10279 161.2
[M+HCOO]- 359.10373 191.4
[M+CH3COO]- 373.11938 181.6
[M+Na-2H]- 335.08020 179.7
[M]+ 314.10498 171.3
[M]- 314.10608 171.3
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

No patent data available for this compound.