CID 218467

40678-91-9

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=C(NC2=C1C(=O)N(C(=O)N2C3=CC=CC=C3)C)C
InChI
InChI=1S/C15H15N3O2/c1-9-10(2)16-13-12(9)14(19)17(3)15(20)18(13)11-7-5-4-6-8-11/h4-8,16H,1-3H3
InChIKey
CPFKFAYLYLBHHN-UHFFFAOYSA-N
Compound name
3,5,6-trimethyl-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

269.11642 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.123696 160.9
[M+Na]+ 292.105638 175.0
[M-H]- 268.109144 165.5
[M+NH4]+ 287.150243 176.6
[M+K]+ 308.079578 168.5
[M+H-H2O]+ 252.113680 152.7
[M+HCOO]- 314.114621 182.1
[M+CH3COO]- 328.130271 174.1
[M+Na-2H]- 290.091086 164.7
[M]+ 269.11587142 164.9
[M]- 269.11696858 164.9
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.