CID 5387509

Nsc624395

Structural Information

Molecular Formula
C14H9NO5
SMILES
C1OC2=C(O1)C(=C3C(=C2)C4=C(C=C(C=C4)O)NC3=O)O
InChI
InChI=1S/C14H9NO5/c16-6-1-2-7-8-4-10-13(20-5-19-10)12(17)11(8)14(18)15-9(7)3-6/h1-4,16-17H,5H2,(H,15,18)
InChIKey
UAUYRRWIDUZJMH-UHFFFAOYSA-N
Compound name
3,7-dihydroxy-5H-[1,3]dioxolo[4,5-j]phenanthridin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.04807 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.05535 153.4
[M+Na]+ 294.03729 165.9
[M-H]- 270.04079 157.7
[M+NH4]+ 289.08189 169.2
[M+K]+ 310.01123 162.7
[M+H-H2O]+ 254.04533 147.6
[M+HCOO]- 316.04627 169.7
[M+CH3COO]- 330.06192 166.3
[M+Na-2H]- 292.02274 161.9
[M]+ 271.04752 157.2
[M]- 271.04862 157.2
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.