CID 501304

5-hydroxy-10-methoxy-1-methyl-naphtho[2,3-f]indazole-4,11-dione

Structural Information

Molecular Formula
C17H12N2O4
SMILES
CN1C2=C(C=N1)C(=O)C3=C(C4=CC=CC=C4C(=C3C2=O)OC)O
InChI
InChI=1S/C17H12N2O4/c1-19-13-10(7-18-19)15(21)11-12(16(13)22)17(23-2)9-6-4-3-5-8(9)14(11)20/h3-7,20H,1-2H3
InChIKey
VDEPDMBLUWIXEY-UHFFFAOYSA-N
Compound name
5-hydroxy-10-methoxy-1-methylnaphtho[2,3-f]indazole-4,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

308.0797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.086976 169.0
[M+Na]+ 331.068918 182.6
[M-H]- 307.072424 173.3
[M+NH4]+ 326.113523 186.2
[M+K]+ 347.042858 177.0
[M+H-H2O]+ 291.076960 161.5
[M+HCOO]- 353.077901 187.5
[M+CH3COO]- 367.093551 181.5
[M+Na-2H]- 329.054366 173.8
[M]+ 308.07915142 174.9
[M]- 308.08024858 174.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.