CID 47828

9-(p-(9-acridinylamino)phenyl)nonanoic acid hydrochloride

Structural Information

Molecular Formula
C28H30N2O2
SMILES
C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)CCCCCCCCC(=O)O
InChI
InChI=1S/C28H30N2O2/c31-27(32)16-6-4-2-1-3-5-11-21-17-19-22(20-18-21)29-28-23-12-7-9-14-25(23)30-26-15-10-8-13-24(26)28/h7-10,12-15,17-20H,1-6,11,16H2,(H,29,30)(H,31,32)
InChIKey
VOSBIUURNYAPBY-UHFFFAOYSA-N
Compound name
9-[4-(acridin-9-ylamino)phenyl]nonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

426.23074 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.238016 206.8
[M+Na]+ 449.219958 211.5
[M-H]- 425.223464 211.1
[M+NH4]+ 444.264563 215.5
[M+K]+ 465.193898 203.4
[M+H-H2O]+ 409.228000 195.2
[M+HCOO]- 471.228941 224.4
[M+CH3COO]- 485.244591 213.8
[M+Na-2H]- 447.205406 211.2
[M]+ 426.23019142 209.5
[M]- 426.23128858 209.5
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.