CID 232641

4-nitroacridin-9(10h)-one

Structural Information

Molecular Formula
C13H8N2O3
SMILES
C1=CC=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C13H8N2O3/c16-13-8-4-1-2-6-10(8)14-12-9(13)5-3-7-11(12)15(17)18/h1-7H,(H,14,16)
InChIKey
MMGYSMZGRLZCAS-UHFFFAOYSA-N
Compound name
4-nitro-10H-acridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

97
Patents

240.0535 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.060776 145.7
[M+Na]+ 263.042718 155.7
[M-H]- 239.046224 149.5
[M+NH4]+ 258.087323 162.6
[M+K]+ 279.016658 146.5
[M+H-H2O]+ 223.050760 142.9
[M+HCOO]- 285.051701 168.5
[M+CH3COO]- 299.067351 184.6
[M+Na-2H]- 261.028166 157.9
[M]+ 240.05295142 145.3
[M]- 240.05404858 145.3
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

patents stripe