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]+ 238.08223 146.5
[M+Na]+ 260.06417 161.0
[M-H]- 236.06767 148.3
[M+NH4]+ 255.10877 163.7
[M+K]+ 276.03811 157.7
[M+H-H2O]+ 220.07221 140.2
[M+HCOO]- 282.07315 167.6
[M+CH3COO]- 296.08880 191.5
[M+Na-2H]- 258.04962 149.9
[M]+ 237.07440 152.9
[M]- 237.07550 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.