CID 337790

Nsc356909

Structural Information

Molecular Formula
C16H8N4O2
SMILES
C1=CC2=C3C(=C1)C4=C(C3=CC=C2)N=C5C(=NC(=O)NC5=O)N4
InChI
InChI=1S/C16H8N4O2/c21-15-13-14(19-16(22)20-15)18-12-9-6-2-4-7-3-1-5-8(10(7)9)11(12)17-13/h1-6H,(H2,18,19,20,21,22)
InChIKey
NTBSGFLUSOSGBU-UHFFFAOYSA-N
Compound name
7H-acenaphthyleno[2,1-g]pteridine-9,11-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

288.06473 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.07201 163.8
[M+Na]+ 311.05395 179.0
[M-H]- 287.05745 165.0
[M+NH4]+ 306.09855 179.1
[M+K]+ 327.02789 170.0
[M+H-H2O]+ 271.06199 154.7
[M+HCOO]- 333.06293 180.6
[M+CH3COO]- 347.07858 175.5
[M+Na-2H]- 309.03940 174.6
[M]+ 288.06418 168.3
[M]- 288.06528 168.3
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