CID 443031

Bispyribac

Structural Information

Molecular Formula
C19H18N4O8
SMILES
COC1=CC(=NC(=N1)OC2=C(C(=CC=C2)OC3=NC(=CC(=N3)OC)OC)C(=O)O)OC
InChI
InChI=1S/C19H18N4O8/c1-26-12-8-13(27-2)21-18(20-12)30-10-6-5-7-11(16(10)17(24)25)31-19-22-14(28-3)9-15(23-19)29-4/h5-9H,1-4H3,(H,24,25)
InChIKey
RYVIXQCRCQLFCM-UHFFFAOYSA-N
Compound name
2,6-bis[(4,6-dimethoxypyrimidin-2-yl)oxy]benzoic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

46
References

24318
Patents

430.11246 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.11974 199.6
[M+Na]+ 453.10168 213.7
[M+NH4]+ 448.14628 201.7
[M+K]+ 469.07562 210.2
[M-H]- 429.10518 200.7
[M+Na-2H]- 451.08713 206.0
[M]+ 430.11191 201.6
[M]- 430.11301 201.6
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

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