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 194.3
[M+Na]+ 422.14752 200.8
[M-H]- 398.15102 200.1
[M+NH4]+ 417.19212 204.1
[M+K]+ 438.12146 194.6
[M+H-H2O]+ 382.15556 183.8
[M+HCOO]- 444.15650 213.8
[M+CH3COO]- 458.17215 202.9
[M+Na-2H]- 420.13297 200.1
[M]+ 399.15775 195.9
[M]- 399.15885 195.9
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.