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]+ 329.128476 175.3
[M+Na]+ 351.110418 183.6
[M-H]- 327.113924 181.3
[M+NH4]+ 346.155023 188.4
[M+K]+ 367.084358 176.8
[M+H-H2O]+ 311.118460 165.5
[M+HCOO]- 373.119401 195.6
[M+CH3COO]- 387.135051 185.7
[M+Na-2H]- 349.095866 183.7
[M]+ 328.12065142 176.1
[M]- 328.12174858 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.