CID 3073457

9(10h)-acridinone, 10-ethyl-1-nitro-

Structural Information

Molecular Formula
C15H12N2O3
SMILES
CCN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C31
InChI
InChI=1S/C15H12N2O3/c1-2-16-11-7-4-3-6-10(11)15(18)14-12(16)8-5-9-13(14)17(19)20/h3-9H,2H2,1H3
InChIKey
IJJPVNXQCPGJRS-UHFFFAOYSA-N
Compound name
10-ethyl-1-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.08478 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.09206 156.2
[M+Na]+ 291.07400 166.6
[M-H]- 267.07750 161.4
[M+NH4]+ 286.11860 172.9
[M+K]+ 307.04794 157.9
[M+H-H2O]+ 251.08204 152.7
[M+HCOO]- 313.08298 179.7
[M+CH3COO]- 327.09863 194.4
[M+Na-2H]- 289.05945 166.9
[M]+ 268.08423 158.6
[M]- 268.08533 158.6
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.