CID 217946

39929-82-3

Structural Information

Molecular Formula
C13H11N3O2
SMILES
CN1C(=O)C2=C(NC=C2)N(C1=O)C3=CC=CC=C3
InChI
InChI=1S/C13H11N3O2/c1-15-12(17)10-7-8-14-11(10)16(13(15)18)9-5-3-2-4-6-9/h2-8,14H,1H3
InChIKey
GFVCZLFKZPOOQK-UHFFFAOYSA-N
Compound name
3-methyl-1-phenyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.08513 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.09241 151.3
[M+Na]+ 264.07435 164.4
[M-H]- 240.07785 155.4
[M+NH4]+ 259.11895 167.5
[M+K]+ 280.04829 158.4
[M+H-H2O]+ 224.08239 142.9
[M+HCOO]- 286.08333 173.2
[M+CH3COO]- 300.09898 164.6
[M+Na-2H]- 262.05980 157.6
[M]+ 241.08458 153.7
[M]- 241.08568 153.7
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.