CID 135926898

1118787-12-4

Structural Information

Molecular Formula
C12H11N3O3
SMILES
CC1=C(C(=O)NC(=N1)C2=CN=CC=C2)CC(=O)O
InChI
InChI=1S/C12H11N3O3/c1-7-9(5-10(16)17)12(18)15-11(14-7)8-3-2-4-13-6-8/h2-4,6H,5H2,1H3,(H,16,17)(H,14,15,18)
InChIKey
VKYPUUGAULWRSS-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-oxo-2-pyridin-3-yl-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

245.08005 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.087326 153.7
[M+Na]+ 268.069268 163.2
[M-H]- 244.072774 154.5
[M+NH4]+ 263.113873 165.6
[M+K]+ 284.043208 158.2
[M+H-H2O]+ 228.077310 144.9
[M+HCOO]- 290.078251 171.6
[M+CH3COO]- 304.093901 188.4
[M+Na-2H]- 266.054716 158.6
[M]+ 245.07950142 153.3
[M]- 245.08059858 153.3
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.