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]+ 427.23802 206.8
[M+Na]+ 449.21996 211.5
[M-H]- 425.22346 211.1
[M+NH4]+ 444.26456 215.5
[M+K]+ 465.19390 203.4
[M+H-H2O]+ 409.22800 195.2
[M+HCOO]- 471.22894 224.4
[M+CH3COO]- 485.24459 213.8
[M+Na-2H]- 447.20541 211.2
[M]+ 426.23019 209.5
[M]- 426.23129 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.