CID 135970713

2-[6-methyl-4-oxo-2-(pyrimidin-2-yl)-1,4-dihydropyrimidin-5-yl]acetic acid

Structural Information

Molecular Formula
C11H10N4O3
SMILES
CC1=C(C(=O)NC(=N1)C2=NC=CC=N2)CC(=O)O
InChI
InChI=1S/C11H10N4O3/c1-6-7(5-8(16)17)11(18)15-10(14-6)9-12-3-2-4-13-9/h2-4H,5H2,1H3,(H,16,17)(H,14,15,18)
InChIKey
BZETVWGAKTXHJZ-UHFFFAOYSA-N
Compound name
2-(4-methyl-6-oxo-2-pyrimidin-2-yl-1H-pyrimidin-5-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.07529 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08257 154.5
[M+Na]+ 269.06451 164.4
[M-H]- 245.06801 154.1
[M+NH4]+ 264.10911 164.9
[M+K]+ 285.03845 159.3
[M+H-H2O]+ 229.07255 145.1
[M+HCOO]- 291.07349 171.3
[M+CH3COO]- 305.08914 188.4
[M+Na-2H]- 267.04996 159.9
[M]+ 246.07474 154.2
[M]- 246.07584 154.2
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.