CID 135746685

64677-94-7

Structural Information

Molecular Formula
C15H16N2O4
SMILES
CC1=C(C(=O)NC(=N1)CC2=CC=C(C=C2)OC)CC(=O)O
InChI
InChI=1S/C15H16N2O4/c1-9-12(8-14(18)19)15(20)17-13(16-9)7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H,18,19)(H,16,17,20)
InChIKey
IFCSEEAOHKJMQS-UHFFFAOYSA-N
Compound name
2-[2-[(4-methoxyphenyl)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

288.111 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.11828 166.1
[M+Na]+ 311.10022 179.6
[M+NH4]+ 306.14482 171.2
[M+K]+ 327.07416 174.3
[M-H]- 287.10372 167.0
[M+Na-2H]- 309.08567 172.0
[M]+ 288.11045 168.0
[M]- 288.11155 168.0
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.