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 155.9
[M+Na]+ 288.09548 169.4
[M-H]- 264.09898 157.2
[M+NH4]+ 283.14008 171.8
[M+K]+ 304.06942 165.6
[M+H-H2O]+ 248.10352 149.1
[M+HCOO]- 310.10446 176.2
[M+CH3COO]- 324.12011 197.4
[M+Na-2H]- 286.08093 158.2
[M]+ 265.10571 162.9
[M]- 265.10681 162.9
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.