CID 5386678

Nsc615534

Structural Information

Molecular Formula
C14H10N2O5
SMILES
CN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3O)O
InChI
InChI=1S/C14H10N2O5/c1-15-10-3-2-7(16(20)21)4-9(10)14(19)13-11(15)5-8(17)6-12(13)18/h2-6,17-18H,1H3
InChIKey
CYBLUKVSMNILGW-UHFFFAOYSA-N
Compound name
1,3-dihydroxy-10-methyl-7-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

286.05896 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.06624 157.3
[M+Na]+ 309.04818 168.4
[M-H]- 285.05168 160.6
[M+NH4]+ 304.09278 172.1
[M+K]+ 325.02212 159.8
[M+H-H2O]+ 269.05622 154.6
[M+HCOO]- 331.05716 178.2
[M+CH3COO]- 345.07281 193.1
[M+Na-2H]- 307.03363 166.9
[M]+ 286.05841 159.4
[M]- 286.05951 159.4
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.