CID 135434304

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

Structural Information

Molecular Formula
C20H17N3O7
SMILES
COC1=CC(=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC(=C(C(=O)N3)O)C(=O)O)OC
InChI
InChI=1S/C20H17N3O7/c1-29-13-7-11(8-14(9-13)30-2)18(25)21-12-5-3-4-10(6-12)17-22-15(20(27)28)16(24)19(26)23-17/h3-9,24H,1-2H3,(H,21,25)(H,27,28)(H,22,23,26)
InChIKey
PUITVHRVWWRTTM-UHFFFAOYSA-N
Compound name
2-[3-[(3,5-dimethoxybenzoyl)amino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

411.10666 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.11394 192.9
[M+Na]+ 434.09588 199.9
[M-H]- 410.09938 197.3
[M+NH4]+ 429.14048 197.7
[M+K]+ 450.06982 196.1
[M+H-H2O]+ 394.10392 182.2
[M+HCOO]- 456.10486 209.8
[M+CH3COO]- 470.12051 221.9
[M+Na-2H]- 432.08133 193.5
[M]+ 411.10611 195.0
[M]- 411.10721 195.0
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.