CID 3056826

Valeric acid, 5-(p-(9-acridinylamino)phenyl)-, hydrate

Structural Information

Molecular Formula
C24H22N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCC(=O)O
InChI
InChI=1S/C24H22N2O2/c27-23(28)12-6-1-7-17-13-15-18(16-14-17)25-24-19-8-2-4-10-21(19)26-22-11-5-3-9-20(22)24/h2-5,8-11,13-16H,1,6-7,12H2,(H,25,26)(H,27,28)
InChIKey
PFPXDMURVHQDOX-UHFFFAOYSA-N
Compound name
5-[4-(acridin-9-ylamino)phenyl]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

370.16812 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.17540 191.0
[M+Na]+ 393.15734 207.6
[M+NH4]+ 388.20194 199.3
[M+K]+ 409.13128 197.2
[M-H]- 369.16084 197.1
[M+Na-2H]- 391.14279 200.2
[M]+ 370.16757 195.3
[M]- 370.16867 195.3
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.