CID 496890

Nsc701983

Structural Information

Molecular Formula
C14H13NO4
SMILES
C1C2C(C(CN3C2C4=CC=CC=C4C3=O)O)OC1=O
InChI
InChI=1S/C14H13NO4/c16-10-6-15-12(9-5-11(17)19-13(9)10)7-3-1-2-4-8(7)14(15)18/h1-4,9-10,12-13,16H,5-6H2
InChIKey
JGUUJQHFPZOMFV-UHFFFAOYSA-N
Compound name
7-hydroxy-5-oxa-9-azatetracyclo[7.7.0.02,6.011,16]hexadeca-11,13,15-triene-4,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.08447 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.09175 154.4
[M+Na]+ 282.07369 163.8
[M-H]- 258.07719 159.1
[M+NH4]+ 277.11829 174.9
[M+K]+ 298.04763 160.5
[M+H-H2O]+ 242.08173 149.7
[M+HCOO]- 304.08267 169.7
[M+CH3COO]- 318.09832 166.7
[M+Na-2H]- 280.05914 156.5
[M]+ 259.08392 153.9
[M]- 259.08502 153.9
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.