CID 505859

1,3-dioxol-2-yl[?]dione

Structural Information

Molecular Formula
C17H9N3O4
SMILES
C1=CC2=C(C=C1C3OC=CO3)C(=O)C4=NC5=C(C=NC=C5)C(=O)N24
InChI
InChI=1S/C17H9N3O4/c21-14-10-7-9(17-23-5-6-24-17)1-2-13(10)20-15(14)19-12-3-4-18-8-11(12)16(20)22/h1-8,17H
InChIKey
CCNJDCHVCZFFSI-UHFFFAOYSA-N
Compound name
14-(1,3-dioxol-2-yl)-2,6,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.0593 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.06658 168.6
[M+Na]+ 342.04852 181.5
[M-H]- 318.05202 177.1
[M+NH4]+ 337.09312 182.8
[M+K]+ 358.02246 178.2
[M+H-H2O]+ 302.05656 160.5
[M+HCOO]- 364.05750 186.3
[M+CH3COO]- 378.07315 181.3
[M+Na-2H]- 340.03397 173.1
[M]+ 319.05875 174.0
[M]- 319.05985 174.0
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.