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]+ 309.08698 169.0
[M+Na]+ 331.06892 182.6
[M-H]- 307.07242 173.3
[M+NH4]+ 326.11352 186.2
[M+K]+ 347.04286 177.0
[M+H-H2O]+ 291.07696 161.5
[M+HCOO]- 353.07790 187.5
[M+CH3COO]- 367.09355 181.5
[M+Na-2H]- 329.05437 173.8
[M]+ 308.07915 174.9
[M]- 308.08025 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.