CID 337792

Nsc356908

Structural Information

Molecular Formula
C16H9N5O
SMILES
C1=CC2=C3C(=C1)C4=C(C3=CC=C2)N=C5C(=NC(=O)N=C5N4)N
InChI
InChI=1S/C16H9N5O/c17-14-13-15(21-16(22)20-14)19-12-9-6-2-4-7-3-1-5-8(10(7)9)11(12)18-13/h1-6H,(H3,17,19,20,21,22)
InChIKey
LPYPVJMLSHUROH-UHFFFAOYSA-N
Compound name
11-amino-7H-acenaphthyleno[2,1-g]pteridin-9-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.08072 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.08800 163.9
[M+Na]+ 310.06994 178.8
[M-H]- 286.07344 165.9
[M+NH4]+ 305.11454 179.6
[M+K]+ 326.04388 170.2
[M+H-H2O]+ 270.07798 154.6
[M+HCOO]- 332.07892 182.4
[M+CH3COO]- 346.09457 175.8
[M+Na-2H]- 308.05539 175.1
[M]+ 287.08017 168.1
[M]- 287.08127 168.1
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.