CID 9604652

Pyriminobac-methyl

Structural Information

Molecular Formula
C17H19N3O6
SMILES
C/C(=N\OC)/C1=C(C(=CC=C1)OC2=NC(=CC(=N2)OC)OC)C(=O)OC
InChI
InChI=1S/C17H19N3O6/c1-10(20-25-5)11-7-6-8-12(15(11)16(21)24-4)26-17-18-13(22-2)9-14(19-17)23-3/h6-9H,1-5H3/b20-10+
InChIKey
USSIUIGPBLPCDF-KEBDBYFISA-N
Compound name
methyl 2-(4,6-dimethoxypyrimidin-2-yl)oxy-6-[(E)-N-methoxy-C-methylcarbonimidoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

14132
Patents

361.12738 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13466 181.3
[M+Na]+ 384.11660 189.0
[M-H]- 360.12010 187.3
[M+NH4]+ 379.16120 191.5
[M+K]+ 400.09054 188.6
[M+H-H2O]+ 344.12464 170.7
[M+HCOO]- 406.12558 204.0
[M+CH3COO]- 420.14123 220.0
[M+Na-2H]- 382.10205 184.0
[M]+ 361.12683 190.8
[M]- 361.12793 190.8
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

patents stripe