CID 135434356

5,6-dihydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C19H16N2O6
SMILES
COC1=CC=CC(=C1)COC2=CC=CC(=C2)C3=NC(=C(C(=O)N3)O)C(=O)O
InChI
InChI=1S/C19H16N2O6/c1-26-13-6-2-4-11(8-13)10-27-14-7-3-5-12(9-14)17-20-15(19(24)25)16(22)18(23)21-17/h2-9,22H,10H2,1H3,(H,24,25)(H,20,21,23)
InChIKey
DQMXBFOIGHQPSJ-UHFFFAOYSA-N
Compound name
5-hydroxy-2-[3-[(3-methoxyphenyl)methoxy]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

368.10083 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.10811 183.5
[M+Na]+ 391.09005 191.4
[M-H]- 367.09355 187.6
[M+NH4]+ 386.13465 190.4
[M+K]+ 407.06399 186.5
[M+H-H2O]+ 351.09809 173.1
[M+HCOO]- 413.09903 200.4
[M+CH3COO]- 427.11468 209.9
[M+Na-2H]- 389.07550 185.6
[M]+ 368.10028 185.4
[M]- 368.10138 185.4
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.