CID 217945

39929-60-7

Structural Information

Molecular Formula
C14H13N3O2
SMILES
CN1C=CC2=C1N(C(=O)N(C2=O)C)C3=CC=CC=C3
InChI
InChI=1S/C14H13N3O2/c1-15-9-8-11-12(15)17(10-6-4-3-5-7-10)14(19)16(2)13(11)18/h3-9H,1-2H3
InChIKey
IATOMMVPABYIPK-UHFFFAOYSA-N
Compound name
3,7-dimethyl-1-phenylpyrrolo[2,3-d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.10077 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10805 155.5
[M+Na]+ 278.08999 169.5
[M-H]- 254.09349 161.2
[M+NH4]+ 273.13459 172.1
[M+K]+ 294.06393 164.1
[M+H-H2O]+ 238.09803 146.9
[M+HCOO]- 300.09897 178.5
[M+CH3COO]- 314.11462 169.4
[M+Na-2H]- 276.07544 160.9
[M]+ 255.10022 160.5
[M]- 255.10132 160.5
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.