CID 368721

Nsc639857

Structural Information

Molecular Formula
C15H10N2O5
SMILES
C1=CC(=C2C(=C1)C(=O)C3=C(N2)C(=CC=C3)[N+](=O)[O-])CC(=O)O
InChI
InChI=1S/C15H10N2O5/c18-12(19)7-8-3-1-4-9-13(8)16-14-10(15(9)20)5-2-6-11(14)17(21)22/h1-6H,7H2,(H,16,20)(H,18,19)
InChIKey
DVKKYGIXXAIJAC-UHFFFAOYSA-N
Compound name
2-(5-nitro-9-oxo-10H-acridin-4-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

298.05896 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.06624 159.9
[M+Na]+ 321.04818 168.7
[M-H]- 297.05168 162.3
[M+NH4]+ 316.09278 173.4
[M+K]+ 337.02212 159.7
[M+H-H2O]+ 281.05622 156.8
[M+HCOO]- 343.05716 179.8
[M+CH3COO]- 357.07281 193.5
[M+Na-2H]- 319.03363 169.2
[M]+ 298.05841 160.1
[M]- 298.05951 160.1
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.