CID 372544

Nsc647750

Structural Information

Molecular Formula
C16H14N2O5
SMILES
CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=O)C3=C1C=C(C=C3OC)OC
InChI
InChI=1S/C16H14N2O5/c1-17-10-5-4-6-11(18(20)21)14(10)16(19)15-12(17)7-9(22-2)8-13(15)23-3/h4-8H,1-3H3
InChIKey
XUXSDAIUHIWQAS-UHFFFAOYSA-N
Compound name
1,3-dimethoxy-10-methyl-8-nitroacridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.09027 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09755 167.7
[M+Na]+ 337.07949 178.7
[M-H]- 313.08299 173.3
[M+NH4]+ 332.12409 182.7
[M+K]+ 353.05343 171.3
[M+H-H2O]+ 297.08753 163.8
[M+HCOO]- 359.08847 190.8
[M+CH3COO]- 373.10412 204.1
[M+Na-2H]- 335.06494 176.8
[M]+ 314.08972 173.7
[M]- 314.09082 173.7
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.