CID 501299

1h-naphtho[2,3-f]indazole-4,11-dione, 6,7,8,9-tetrahydro-5,10-dihydroxy-1-methyl-

Structural Information

Molecular Formula
C16H14N2O4
SMILES
CN1C2=C(C=N1)C(=O)C3=C(C4=C(CCCC4)C(=C3C2=O)O)O
InChI
InChI=1S/C16H14N2O4/c1-18-12-9(6-17-18)15(21)10-11(16(12)22)14(20)8-5-3-2-4-7(8)13(10)19/h6,19-20H,2-5H2,1H3
InChIKey
QPRSJNUJYDSTNK-UHFFFAOYSA-N
Compound name
5,10-dihydroxy-1-methyl-6,7,8,9-tetrahydronaphtho[2,3-f]indazole-4,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

298.09537 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.10265 167.3
[M+Na]+ 321.08459 177.9
[M-H]- 297.08809 169.1
[M+NH4]+ 316.12919 183.9
[M+K]+ 337.05853 172.2
[M+H-H2O]+ 281.09263 160.4
[M+HCOO]- 343.09357 180.3
[M+CH3COO]- 357.10922 178.0
[M+Na-2H]- 319.07004 169.4
[M]+ 298.09482 166.9
[M]- 298.09592 166.9
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.