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]+ 283.08258 163.2
[M+Na]+ 305.06452 180.3
[M-H]- 281.06802 167.6
[M+NH4]+ 300.10912 178.2
[M+K]+ 321.03846 175.2
[M+H-H2O]+ 265.07256 154.2
[M+HCOO]- 327.07350 183.2
[M+CH3COO]- 341.08915 176.9
[M+Na-2H]- 303.04997 172.0
[M]+ 282.07475 172.3
[M]- 282.07585 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.