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]+ 371.175396 188.9
[M+Na]+ 393.157338 195.7
[M-H]- 369.160844 194.2
[M+NH4]+ 388.201943 200.2
[M+K]+ 409.131278 188.3
[M+H-H2O]+ 353.165380 178.4
[M+HCOO]- 415.166321 208.1
[M+CH3COO]- 429.181971 197.9
[M+Na-2H]- 391.142786 195.6
[M]+ 370.16757142 190.5
[M]- 370.16866858 190.5
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.