CID 376279

Nsc656993

Structural Information

Molecular Formula
C14H8N2O3
SMILES
C1=CC=C2C(=C1)C3=C(O2)C=CC4=C3C(=O)NNC4=O
InChI
InChI=1S/C14H8N2O3/c17-13-8-5-6-10-11(12(8)14(18)16-15-13)7-3-1-2-4-9(7)19-10/h1-6H,(H,15,17)(H,16,18)
InChIKey
CXMJWBVJYWZTDU-UHFFFAOYSA-N
Compound name
2,3-dihydro-[1]benzofuro[3,2-f]phthalazine-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

252.0535 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.06078 150.0
[M+Na]+ 275.04272 164.6
[M-H]- 251.04622 154.0
[M+NH4]+ 270.08732 167.3
[M+K]+ 291.01666 158.6
[M+H-H2O]+ 235.05076 143.0
[M+HCOO]- 297.05170 170.2
[M+CH3COO]- 311.06735 163.7
[M+Na-2H]- 273.02817 160.4
[M]+ 252.05295 154.2
[M]- 252.05405 154.2
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.