CID 52410

2-(p-(9-acridinylamino)phenoxy)butyric acid, dihydrate

Structural Information

Molecular Formula
C23H20N2O3
SMILES
CCC(C(=O)O)OC1=CC=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C23H20N2O3/c1-2-21(23(26)27)28-16-13-11-15(12-14-16)24-22-17-7-3-5-9-19(17)25-20-10-6-4-8-18(20)22/h3-14,21H,2H2,1H3,(H,24,25)(H,26,27)
InChIKey
XBOIINIDSLCBGN-UHFFFAOYSA-N
Compound name
2-[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

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.15468 189.0
[M+Na]+ 395.13662 204.9
[M+NH4]+ 390.18122 196.8
[M+K]+ 411.11056 196.2
[M-H]- 371.14012 194.4
[M+Na-2H]- 393.12207 197.7
[M]+ 372.14685 192.9
[M]- 372.14795 192.9
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.