CID 6399337

Nsc643708

Structural Information

Molecular Formula
C10H6N6O2
SMILES
C1=CC=C2C(=C1)N3C(=NNC3=O)C4=NNC(=O)N24
InChI
InChI=1S/C10H6N6O2/c17-9-13-11-7-8-12-14-10(18)16(8)6-4-2-1-3-5(6)15(7)9/h1-4H,(H,13,17)(H,14,18)
InChIKey
SZGVKAPJSILWKH-UHFFFAOYSA-N
Compound name
2,4,5,8,9,11-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),5,7,12,14-pentaene-3,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

242.05522 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.06250 151.4
[M+Na]+ 265.04444 167.3
[M-H]- 241.04794 150.4
[M+NH4]+ 260.08904 166.6
[M+K]+ 281.01838 160.2
[M+H-H2O]+ 225.05248 143.2
[M+HCOO]- 287.05342 168.9
[M+CH3COO]- 301.06907 163.7
[M+Na-2H]- 263.02989 159.1
[M]+ 242.05467 155.1
[M]- 242.05577 155.1
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.