CID 208749

1-methoxy-6-nitro-9-phenoxyacridine

Structural Information

Molecular Formula
C20H14N2O4
SMILES
COC1=CC=CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=C21)OC4=CC=CC=C4
InChI
InChI=1S/C20H14N2O4/c1-25-18-9-5-8-16-19(18)20(26-14-6-3-2-4-7-14)15-11-10-13(22(23)24)12-17(15)21-16/h2-12H,1H3
InChIKey
OYUZOCDGLQIITK-UHFFFAOYSA-N
Compound name
1-methoxy-6-nitro-9-phenoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

346.09537 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10265 177.5
[M+Na]+ 369.08459 196.6
[M+NH4]+ 364.12919 186.5
[M+K]+ 385.05853 189.6
[M-H]- 345.08809 184.9
[M+Na-2H]- 367.07004 187.7
[M]+ 346.09482 182.6
[M]- 346.09592 182.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.