CID 208760

3-methoxy-6-nitro-9-phenoxyacridine

Structural Information

Molecular Formula
C20H14N2O4
SMILES
COC1=CC2=NC3=C(C=CC(=C3)[N+](=O)[O-])C(=C2C=C1)OC4=CC=CC=C4
InChI
InChI=1S/C20H14N2O4/c1-25-15-8-10-17-19(12-15)21-18-11-13(22(23)24)7-9-16(18)20(17)26-14-5-3-2-4-6-14/h2-12H,1H3
InChIKey
USKZVKCSMBLHNR-UHFFFAOYSA-N
Compound name
3-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]+ 347.102646 178.7
[M+Na]+ 369.084588 186.8
[M-H]- 345.088094 186.3
[M+NH4]+ 364.129193 191.0
[M+K]+ 385.058528 178.0
[M+H-H2O]+ 329.092630 172.4
[M+HCOO]- 391.093571 201.1
[M+CH3COO]- 405.109221 208.5
[M+Na-2H]- 367.070036 189.0
[M]+ 346.09482142 181.6
[M]- 346.09591858 181.6
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.