CID 3042305

Brn 0757133

Structural Information

Molecular Formula
C13H10N4O3
SMILES
C1=CC=C(C=C1)C2=C3C(=C(N2)C(=O)N)C(=O)NC(=O)N3
InChI
InChI=1S/C13H10N4O3/c14-11(18)10-7-9(16-13(20)17-12(7)19)8(15-10)6-4-2-1-3-5-6/h1-5,15H,(H2,14,18)(H2,16,17,19,20)
InChIKey
FUGLAHSYOVQGIT-UHFFFAOYSA-N
Compound name
2,4-dioxo-7-phenyl-1,6-dihydropyrrolo[3,4-d]pyrimidine-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.0753 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.08258 158.2
[M+Na]+ 293.06452 171.0
[M+NH4]+ 288.10912 163.0
[M+K]+ 309.03846 168.5
[M-H]- 269.06802 158.6
[M+Na-2H]- 291.04997 163.5
[M]+ 270.07475 159.7
[M]- 270.07585 159.7
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.