CID 53317

9-(m-anisidino)acridine methanesulfonate

Structural Information

Molecular Formula
C20H16N2O
SMILES
COC1=CC=CC(=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42
InChI
InChI=1S/C20H16N2O/c1-23-15-8-6-7-14(13-15)21-20-16-9-2-4-11-18(16)22-19-12-5-3-10-17(19)20/h2-13H,1H3,(H,21,22)
InChIKey
KGQXALVHBONKAL-UHFFFAOYSA-N
Compound name
N-(3-methoxyphenyl)acridin-9-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

300.12625 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13353 168.7
[M+Na]+ 323.11547 178.2
[M-H]- 299.11897 176.1
[M+NH4]+ 318.16007 184.0
[M+K]+ 339.08941 171.6
[M+H-H2O]+ 283.12351 158.7
[M+HCOO]- 345.12445 191.5
[M+CH3COO]- 359.14010 180.5
[M+Na-2H]- 321.10092 179.0
[M]+ 300.12570 170.8
[M]- 300.12680 170.8
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.