CID 253684

97339-24-7

Structural Information

Molecular Formula
C15H8N2O2
SMILES
C1=CC=C2C(=C1)C3=C(C(=O)C2=O)N4C=CC=CC4=N3
InChI
InChI=1S/C15H8N2O2/c18-14-10-6-2-1-5-9(10)12-13(15(14)19)17-8-4-3-7-11(17)16-12/h1-8H
InChIKey
IZHWBPIMZQNSMU-UHFFFAOYSA-N
Compound name
11,17-diazatetracyclo[8.7.0.02,7.011,16]heptadeca-1(10),2,4,6,12,14,16-heptaene-8,9-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

248.05858 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.065856 152.2
[M+Na]+ 271.047798 165.1
[M-H]- 247.051304 157.2
[M+NH4]+ 266.092403 172.0
[M+K]+ 287.021738 159.1
[M+H-H2O]+ 231.055840 144.3
[M+HCOO]- 293.056781 172.9
[M+CH3COO]- 307.072431 165.8
[M+Na-2H]- 269.033246 160.4
[M]+ 248.05803142 155.2
[M]- 248.05912858 155.2
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