CID 356965

Nsc614520

Structural Information

Molecular Formula
C17H10N4O2
SMILES
C1=CC=C(C=C1)N2C3=C(C=N2)C4=C(C5=CC=CN53)C(=O)NC4=O
InChI
InChI=1S/C17H10N4O2/c22-15-13-11-9-18-21(10-5-2-1-3-6-10)17(11)20-8-4-7-12(20)14(13)16(23)19-15/h1-9H,(H,19,22,23)
InChIKey
XNLKEQIVUDXUTG-UHFFFAOYSA-N
Compound name
3-phenyl-1,3,4,9-tetrazatetracyclo[10.3.0.02,6.07,11]pentadeca-2(6),4,7(11),12,14-pentaene-8,10-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

302.08038 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.08766 167.6
[M+Na]+ 325.06960 181.6
[M-H]- 301.07310 173.8
[M+NH4]+ 320.11420 185.3
[M+K]+ 341.04354 174.7
[M+H-H2O]+ 285.07764 159.9
[M+HCOO]- 347.07858 187.9
[M+CH3COO]- 361.09423 180.3
[M+Na-2H]- 323.05505 169.7
[M]+ 302.07983 171.9
[M]- 302.08093 171.9
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

No patent data available for this compound.