CID 208691

3-nitro-9-phenoxyacridine

Structural Information

Molecular Formula
C19H12N2O3
SMILES
C1=CC=C(C=C1)OC2=C3C=CC(=CC3=NC4=CC=CC=C42)[N+](=O)[O-]
InChI
InChI=1S/C19H12N2O3/c22-21(23)13-10-11-16-18(12-13)20-17-9-5-4-8-15(17)19(16)24-14-6-2-1-3-7-14/h1-12H
InChIKey
SRUPPBCXPTTYQA-UHFFFAOYSA-N
Compound name
3-nitro-9-phenoxyacridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.08478 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.092056 170.1
[M+Na]+ 339.073998 178.1
[M-H]- 315.077504 177.5
[M+NH4]+ 334.118603 183.5
[M+K]+ 355.047938 168.6
[M+H-H2O]+ 299.082040 164.2
[M+HCOO]- 361.082981 192.8
[M+CH3COO]- 375.098631 202.4
[M+Na-2H]- 337.059446 181.5
[M]+ 316.08423142 171.0
[M]- 316.08532858 171.0
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