CID 135746686

Brn 0826041

Structural Information

Molecular Formula
C16H18N2O4
SMILES
CCOC1=CC=C(C=C1)CC2=NC(=C(C(=O)N2)CC(=O)O)C
InChI
InChI=1S/C16H18N2O4/c1-3-22-12-6-4-11(5-7-12)8-14-17-10(2)13(9-15(19)20)16(21)18-14/h4-7H,3,8-9H2,1-2H3,(H,19,20)(H,17,18,21)
InChIKey
QUYOIIUWBJIYPS-UHFFFAOYSA-N
Compound name
2-[2-[(4-ethoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12665 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.13393 170.6
[M+Na]+ 325.11587 183.8
[M+NH4]+ 320.16047 175.4
[M+K]+ 341.08981 178.3
[M-H]- 301.11937 171.4
[M+Na-2H]- 323.10132 176.2
[M]+ 302.12610 172.4
[M]- 302.12720 172.4
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.