CID 47480

P-(9-acridinylamino)phenyl acetic acid

Structural Information

Molecular Formula
C21H16N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CC(=O)O
InChI
InChI=1S/C21H16N2O2/c24-20(25)13-14-9-11-15(12-10-14)22-21-16-5-1-3-7-18(16)23-19-8-4-2-6-17(19)21/h1-12H,13H2,(H,22,23)(H,24,25)
InChIKey
RZSCSDASRPFQEW-UHFFFAOYSA-N
Compound name
2-[4-(acridin-9-ylamino)phenyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

328.1212 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.12848 177.2
[M+Na]+ 351.11042 194.4
[M+NH4]+ 346.15502 186.1
[M+K]+ 367.08436 184.8
[M-H]- 327.11392 183.4
[M+Na-2H]- 349.09587 187.3
[M]+ 328.12065 181.7
[M]- 328.12175 181.7
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.