CID 3044519

Brn 0692739

Structural Information

Molecular Formula
C14H11N3O4
SMILES
COC(=O)C1=C2C(=C(N1)C3=CC=CC=C3)NC(=O)NC2=O
InChI
InChI=1S/C14H11N3O4/c1-21-13(19)11-8-10(16-14(20)17-12(8)18)9(15-11)7-5-3-2-4-6-7/h2-6,15H,1H3,(H2,16,17,18,20)
InChIKey
YBPAFOUYXRFWOW-UHFFFAOYSA-N
Compound name
methyl 2,4-dioxo-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

285.07495 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.08223 162.6
[M+Na]+ 308.06417 176.3
[M+NH4]+ 303.10877 167.4
[M+K]+ 324.03811 173.4
[M-H]- 284.06767 162.4
[M+Na-2H]- 306.04962 167.9
[M]+ 285.07440 164.1
[M]- 285.07550 164.1
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

patents stripe