CID 215965

Brn 0620730

Structural Information

Molecular Formula
C15H15N3O2
SMILES
CC1=C(NC2=C1C(=O)N(C(=O)N2C)C)C3=CC=CC=C3
InChI
InChI=1S/C15H15N3O2/c1-9-11-13(17(2)15(20)18(3)14(11)19)16-12(9)10-7-5-4-6-8-10/h4-8,16H,1-3H3
InChIKey
FVZIDICVHNUBNH-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-6-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

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.12370 161.3
[M+Na]+ 292.10564 178.0
[M+NH4]+ 287.15024 168.2
[M+K]+ 308.07958 172.7
[M-H]- 268.10914 163.7
[M+Na-2H]- 290.09109 168.4
[M]+ 269.11587 164.4
[M]- 269.11697 164.4
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.