CID 135434749

5,6-dihydroxy-2-indol-3-ylpyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H9N3O4
SMILES
C1=CC=C2C(=C1)C(=CN2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C13H9N3O4/c17-10-9(13(19)20)15-11(16-12(10)18)7-5-14-8-4-2-1-3-6(7)8/h1-5,14,17H,(H,19,20)(H,15,16,18)
InChIKey
YKKPIRLCVYKLST-UHFFFAOYSA-N
Compound name
5-hydroxy-2-(1H-indol-3-yl)-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.0593 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.06658 157.6
[M+Na]+ 294.04852 168.5
[M-H]- 270.05202 157.9
[M+NH4]+ 289.09312 170.0
[M+K]+ 310.02246 162.0
[M+H-H2O]+ 254.05656 149.9
[M+HCOO]- 316.05750 174.3
[M+CH3COO]- 330.07315 168.4
[M+Na-2H]- 292.03397 161.7
[M]+ 271.05875 156.9
[M]- 271.05985 156.9
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.