CID 135429963

Nsc627524

Structural Information

Molecular Formula
C13H9NO4
SMILES
C1CC(=O)C2=C(C3=C(C=CN=C3)C(=C2C1=O)O)O
InChI
InChI=1S/C13H9NO4/c15-8-1-2-9(16)11-10(8)12(17)6-3-4-14-5-7(6)13(11)18/h3-5,17-18H,1-2H2
InChIKey
HLBOQAGQMVEOJQ-UHFFFAOYSA-N
Compound name
5,10-dihydroxy-7,8-dihydrobenzo[g]isoquinoline-6,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.05316 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06044 149.1
[M+Na]+ 266.04238 159.4
[M-H]- 242.04588 151.3
[M+NH4]+ 261.08698 166.4
[M+K]+ 282.01632 154.9
[M+H-H2O]+ 226.05042 142.5
[M+HCOO]- 288.05136 165.7
[M+CH3COO]- 302.06701 190.0
[M+Na-2H]- 264.02783 155.4
[M]+ 243.05261 148.3
[M]- 243.05371 148.3
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.