CID 135432452

64677-97-0

Structural Information

Molecular Formula
C17H20N2O4
SMILES
CC1=C(C(=O)NC(=N1)CC2=CC=C(C=C2)OC(C)C)CC(=O)O
InChI
InChI=1S/C17H20N2O4/c1-10(2)23-13-6-4-12(5-7-13)8-15-18-11(3)14(9-16(20)21)17(22)19-15/h4-7,10H,8-9H2,1-3H3,(H,20,21)(H,18,19,22)
InChIKey
MNWQJOVYEDHBNE-UHFFFAOYSA-N
Compound name
2-[4-methyl-6-oxo-2-[(4-propan-2-yloxyphenyl)methyl]-1H-pyrimidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

0
Patents

316.1423 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14958 174.5
[M+Na]+ 339.13152 187.1
[M+NH4]+ 334.17612 179.0
[M+K]+ 355.10546 182.2
[M-H]- 315.13502 175.0
[M+Na-2H]- 337.11697 179.5
[M]+ 316.14175 176.2
[M]- 316.14285 176.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.