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]+ 413.22238 202.3
[M+Na]+ 435.20432 207.6
[M-H]- 411.20782 206.9
[M+NH4]+ 430.24892 211.7
[M+K]+ 451.17826 199.6
[M+H-H2O]+ 395.21236 191.1
[M+HCOO]- 457.21330 220.3
[M+CH3COO]- 471.22895 209.9
[M+Na-2H]- 433.18977 207.4
[M]+ 412.21455 204.8
[M]- 412.21565 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.