CID 47830

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

Structural Information

Molecular Formula
C23H20N2O3
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)OCCCC(=O)O
InChI
InChI=1S/C23H20N2O3/c26-22(27)10-5-15-28-17-13-11-16(12-14-17)24-23-18-6-1-3-8-20(18)25-21-9-4-2-7-19(21)23/h1-4,6-9,11-14H,5,10,15H2,(H,24,25)(H,26,27)
InChIKey
YPGCBIOHBACIGM-UHFFFAOYSA-N
Compound name
4-[4-(acridin-9-ylamino)phenoxy]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

372.1474 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 187.2
[M+Na]+ 395.13662 194.2
[M-H]- 371.14012 192.7
[M+NH4]+ 390.18122 198.3
[M+K]+ 411.11056 187.8
[M+H-H2O]+ 355.14466 176.6
[M+HCOO]- 417.14560 206.9
[M+CH3COO]- 431.16125 196.5
[M+Na-2H]- 393.12207 194.6
[M]+ 372.14685 189.9
[M]- 372.14795 189.9
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.