CID 568763

67200-34-4

Structural Information

Molecular Formula
C11H4N4O2
SMILES
C1=CC=C2C(=C1)C3=NC4=NON=C4N=C3C2=O
InChI
InChI=1S/C11H4N4O2/c16-9-6-4-2-1-3-5(6)7-8(9)13-11-10(12-7)14-17-15-11/h1-4H
InChIKey
SFSSAKVWCKFRHE-UHFFFAOYSA-N
Compound name
13-oxa-10,12,14,16-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2,4,6,9,11,14-heptaen-8-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

85
Patents

224.03343 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 225.04071 143.8
[M+Na]+ 247.02265 158.4
[M-H]- 223.02615 147.5
[M+NH4]+ 242.06725 162.3
[M+K]+ 262.99659 154.8
[M+H-H2O]+ 207.03069 135.9
[M+HCOO]- 269.03163 164.4
[M+CH3COO]- 283.04728 158.1
[M+Na-2H]- 245.00810 152.4
[M]+ 224.03288 149.7
[M]- 224.03398 149.7
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.