CID 102333906

11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-3,4-dione

Structural Information

Molecular Formula
C13H10N2O4
SMILES
COC1=C(C2=C3C(=C1)C=CN=C3C(=O)C(=O)N2)OC
InChI
InChI=1S/C13H10N2O4/c1-18-7-5-6-3-4-14-9-8(6)10(12(7)19-2)15-13(17)11(9)16/h3-5H,1-2H3,(H,15,17)
InChIKey
OTKHZTQNLHRHBH-UHFFFAOYSA-N
Compound name
11,12-dimethoxy-2,6-diazatricyclo[7.3.1.05,13]trideca-1(13),5,7,9,11-pentaene-3,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.06406 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.07134 155.4
[M+Na]+ 281.05328 165.9
[M-H]- 257.05678 156.7
[M+NH4]+ 276.09788 171.6
[M+K]+ 297.02722 162.1
[M+H-H2O]+ 241.06132 147.5
[M+HCOO]- 303.06226 172.2
[M+CH3COO]- 317.07791 196.2
[M+Na-2H]- 279.03873 162.3
[M]+ 258.06351 158.7
[M]- 258.06461 158.7
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.