CID 53317

Acridine, 9-(m-anisidino)-, 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

2
Patents

300.12625 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.133526 168.7
[M+Na]+ 323.115468 178.2
[M-H]- 299.118974 176.1
[M+NH4]+ 318.160073 184.0
[M+K]+ 339.089408 171.6
[M+H-H2O]+ 283.123510 158.7
[M+HCOO]- 345.124451 191.5
[M+CH3COO]- 359.140101 180.5
[M+Na-2H]- 321.100916 179.0
[M]+ 300.12570142 170.8
[M]- 300.12679858 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

patents stripe