CID 47826

8-(p-(9-acridinylamino)phenyl)octanoic acid, hydrochloride

Structural Information

Molecular Formula
C27H28N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCC(=O)O
InChI
InChI=1S/C27H28N2O2/c30-26(31)15-5-3-1-2-4-10-20-16-18-21(19-17-20)28-27-22-11-6-8-13-24(22)29-25-14-9-7-12-23(25)27/h6-9,11-14,16-19H,1-5,10,15H2,(H,28,29)(H,30,31)
InChIKey
PVUWZRUYIKLLQS-UHFFFAOYSA-N
Compound name
8-[4-(acridin-9-ylamino)phenyl]octanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

412.2151 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.222376 202.3
[M+Na]+ 435.204318 207.6
[M-H]- 411.207824 206.9
[M+NH4]+ 430.248923 211.7
[M+K]+ 451.178258 199.6
[M+H-H2O]+ 395.212360 191.1
[M+HCOO]- 457.213301 220.3
[M+CH3COO]- 471.228951 209.9
[M+Na-2H]- 433.189766 207.4
[M]+ 412.21455142 204.8
[M]- 412.21564858 204.8
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.