CID 208750

2-methoxy-6-nitro-9-phenoxyacridine

Structural Information

Molecular Formula
C20H14N2O4
SMILES
COC1=CC2=C(C3=C(C=C(C=C3)[N+](=O)[O-])N=C2C=C1)OC4=CC=CC=C4
InChI
InChI=1S/C20H14N2O4/c1-25-15-8-10-18-17(12-15)20(26-14-5-3-2-4-6-14)16-9-7-13(22(23)24)11-19(16)21-18/h2-12H,1H3
InChIKey
IDXKYFHLZNKDCV-UHFFFAOYSA-N
Compound name
2-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 178.7
[M+Na]+ 369.08459 186.8
[M-H]- 345.08809 186.3
[M+NH4]+ 364.12919 191.0
[M+K]+ 385.05853 178.0
[M+H-H2O]+ 329.09263 172.4
[M+HCOO]- 391.09357 201.1
[M+CH3COO]- 405.10922 208.5
[M+Na-2H]- 367.07004 189.0
[M]+ 346.09482 181.6
[M]- 346.09592 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.