CID 471835

Nsc676892

Structural Information

Molecular Formula
C13H14N2O5
SMILES
COC1=C(C(=C2C(=C1)C3C(C2=O)N3C(=O)N)OC)OC
InChI
InChI=1S/C13H14N2O5/c1-18-6-4-5-7(12(20-3)11(6)19-2)10(16)9-8(5)15(9)13(14)17/h4,8-9H,1-3H3,(H2,14,17)
InChIKey
PWXLEGRSQJYLBX-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-6-oxo-1a,6a-dihydroindeno[1,2-b]azirine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

278.09027 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.09755 163.1
[M+Na]+ 301.07949 176.0
[M-H]- 277.08299 168.6
[M+NH4]+ 296.12409 177.3
[M+K]+ 317.05343 171.2
[M+H-H2O]+ 261.08753 157.7
[M+HCOO]- 323.08847 183.9
[M+CH3COO]- 337.10412 207.0
[M+Na-2H]- 299.06494 165.0
[M]+ 278.08972 172.4
[M]- 278.09082 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.