CID 28468143

1018256-11-5

Structural Information

Molecular Formula
C12H15N3O4
SMILES
CCCN1C(=CC2=C1N(C(=O)N(C2=O)C)C)C(=O)O
InChI
InChI=1S/C12H15N3O4/c1-4-5-15-8(11(17)18)6-7-9(15)13(2)12(19)14(3)10(7)16/h6H,4-5H2,1-3H3,(H,17,18)
InChIKey
FERLIHFSJYFMMP-UHFFFAOYSA-N
Compound name
1,3-dimethyl-2,4-dioxo-7-propylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.10626 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.11354 158.8
[M+Na]+ 288.09548 171.7
[M+NH4]+ 283.14008 163.3
[M+K]+ 304.06942 169.5
[M-H]- 264.09898 156.8
[M+Na-2H]- 286.08093 161.1
[M]+ 265.10571 159.7
[M]- 265.10681 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.