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 175.3
[M+Na]+ 351.11042 183.6
[M-H]- 327.11392 181.3
[M+NH4]+ 346.15502 188.4
[M+K]+ 367.08436 176.8
[M+H-H2O]+ 311.11846 165.5
[M+HCOO]- 373.11940 195.6
[M+CH3COO]- 387.13505 185.7
[M+Na-2H]- 349.09587 183.7
[M]+ 328.12065 176.1
[M]- 328.12175 176.1
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.