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

61
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 144.6
[M+Na]+ 247.02265 160.8
[M+NH4]+ 242.06725 153.0
[M+K]+ 262.99659 158.1
[M-H]- 223.02615 146.8
[M+Na-2H]- 245.00810 150.0
[M]+ 224.03288 147.6
[M]- 224.03398 147.6
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

patents stripe