CID 273029

Nsc117854

Structural Information

Molecular Formula
C14H14N2O4
SMILES
C1CCN2C(C1)C(=O)OC3(N2C(=O)C4=CC=CC=C43)O
InChI
InChI=1S/C14H14N2O4/c17-12-9-5-1-2-6-10(9)14(19)16(12)15-8-4-3-7-11(15)13(18)20-14/h1-2,5-6,11,19H,3-4,7-8H2
InChIKey
SFECTOIPTKMXGH-UHFFFAOYSA-N
Compound name
10-hydroxy-9-oxa-1,2-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-11,13,15-triene-8,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.09537 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.10265 158.9
[M+Na]+ 297.08459 167.7
[M-H]- 273.08809 161.5
[M+NH4]+ 292.12919 177.1
[M+K]+ 313.05853 164.3
[M+H-H2O]+ 257.09263 151.4
[M+HCOO]- 319.09357 170.5
[M+CH3COO]- 333.10922 169.7
[M+Na-2H]- 295.07004 164.1
[M]+ 274.09482 156.5
[M]- 274.09592 156.5
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.