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 188.9
[M+Na]+ 393.15734 195.7
[M-H]- 369.16084 194.2
[M+NH4]+ 388.20194 200.2
[M+K]+ 409.13128 188.3
[M+H-H2O]+ 353.16538 178.4
[M+HCOO]- 415.16632 208.1
[M+CH3COO]- 429.18197 197.9
[M+Na-2H]- 391.14279 195.6
[M]+ 370.16757 190.5
[M]- 370.16867 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.