CID 47821

4-(p-(9-acridinylamino)phenyl)butyric acid, hydrochloride

Structural Information

Molecular Formula
C23H20N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCC(=O)O
InChI
InChI=1S/C23H20N2O2/c26-22(27)11-5-6-16-12-14-17(15-13-16)24-23-18-7-1-3-9-20(18)25-21-10-4-2-8-19(21)23/h1-4,7-10,12-15H,5-6,11H2,(H,24,25)(H,26,27)
InChIKey
YISSTPLEMQTVKJ-UHFFFAOYSA-N
Compound name
4-[4-(acridin-9-ylamino)phenyl]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

356.15247 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.15975 184.4
[M+Na]+ 379.14169 191.7
[M-H]- 355.14519 189.9
[M+NH4]+ 374.18629 196.3
[M+K]+ 395.11563 184.5
[M+H-H2O]+ 339.14973 174.1
[M+HCOO]- 401.15067 204.0
[M+CH3COO]- 415.16632 193.9
[M+Na-2H]- 377.12714 191.7
[M]+ 356.15192 185.7
[M]- 356.15302 185.7
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.