CID 360915

Nsc623630

Structural Information

Molecular Formula
C14H10N4O3
SMILES
CN1C2=NC3=C(C4=CC=CC=C4O3)N=C2C(=O)N(C1=O)C
InChI
InChI=1S/C14H10N4O3/c1-17-11-10(13(19)18(2)14(17)20)15-9-7-5-3-4-6-8(7)21-12(9)16-11/h3-6H,1-2H3
InChIKey
XVRNOEXLSKGNHT-UHFFFAOYSA-N
Compound name
1,3-dimethyl-[1]benzofuro[3,2-g]pteridine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.0753 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.082576 163.2
[M+Na]+ 305.064518 180.3
[M-H]- 281.068024 167.6
[M+NH4]+ 300.109123 178.2
[M+K]+ 321.038458 175.2
[M+H-H2O]+ 265.072560 154.2
[M+HCOO]- 327.073501 183.2
[M+CH3COO]- 341.089151 176.9
[M+Na-2H]- 303.049966 172.0
[M]+ 282.07475142 172.3
[M]- 282.07584858 172.3
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.