CID 273028

Nsc117853

Structural Information

Molecular Formula
C13H12N2O4
SMILES
C1CC2C(=O)OC3(C4=CC=CC=C4C(=O)N3N2C1)O
InChI
InChI=1S/C13H12N2O4/c16-11-8-4-1-2-5-9(8)13(18)15(11)14-7-3-6-10(14)12(17)19-13/h1-2,4-5,10,18H,3,6-7H2
InChIKey
NMDDAIMQDGFEGR-UHFFFAOYSA-N
Compound name
9-hydroxy-8-oxa-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-10,12,14-triene-7,16-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.0797 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.08698 154.5
[M+Na]+ 283.06892 164.6
[M-H]- 259.07242 157.9
[M+NH4]+ 278.11352 175.3
[M+K]+ 299.04286 161.4
[M+H-H2O]+ 243.07696 148.8
[M+HCOO]- 305.07790 168.9
[M+CH3COO]- 319.09355 166.6
[M+Na-2H]- 281.05437 158.5
[M]+ 260.07915 154.2
[M]- 260.08025 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.