CID 29079012

1,3,7-trimethyl-2,4-dioxo-1h,2h,3h,4h,7h-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid

Structural Information

Molecular Formula
C10H11N3O4
SMILES
CN1C(=CC2=C1N(C(=O)N(C2=O)C)C)C(=O)O
InChI
InChI=1S/C10H11N3O4/c1-11-6(9(15)16)4-5-7(11)12(2)10(17)13(3)8(5)14/h4H,1-3H3,(H,15,16)
InChIKey
CHYABWIHAJLDBS-UHFFFAOYSA-N
Compound name
1,3,7-trimethyl-2,4-dioxopyrrolo[2,3-d]pyrimidine-6-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

237.07495 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.082226 146.5
[M+Na]+ 260.064168 161.0
[M-H]- 236.067674 148.3
[M+NH4]+ 255.108773 163.7
[M+K]+ 276.038108 157.7
[M+H-H2O]+ 220.072210 140.2
[M+HCOO]- 282.073151 167.6
[M+CH3COO]- 296.088801 191.5
[M+Na-2H]- 258.049616 149.9
[M]+ 237.07440142 152.9
[M]- 237.07549858 152.9
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.