CID 3050296

Propionic acid, 3-(p-(3-acetamido-9-acridinylamino)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CC(=O)NC1=CC2=NC3=CC=CC=C3C(=C2C=C1)NC4=CC=C(C=C4)CCC(=O)O
InChI
InChI=1S/C24H21N3O3/c1-15(28)25-18-11-12-20-22(14-18)27-21-5-3-2-4-19(21)24(20)26-17-9-6-16(7-10-17)8-13-23(29)30/h2-7,9-12,14H,8,13H2,1H3,(H,25,28)(H,26,27)(H,29,30)
InChIKey
NVQXQRJMWPIZFM-UHFFFAOYSA-N
Compound name
3-[4-[(3-acetamidoacridin-9-yl)amino]phenyl]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

399.1583 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 196.5
[M+Na]+ 422.14752 211.2
[M+NH4]+ 417.19212 203.2
[M+K]+ 438.12146 202.8
[M-H]- 398.15102 201.9
[M+Na-2H]- 420.13297 204.3
[M]+ 399.15775 200.1
[M]- 399.15885 200.1
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.