CID 9954185

Fluacrypyrim

Structural Information

Molecular Formula
C20H21F3N2O5
SMILES
CC(C)OC1=NC(=CC(=N1)OCC2=CC=CC=C2/C(=C\OC)/C(=O)OC)C(F)(F)F
InChI
InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+
InChIKey
MXWAGQASUDSFBG-RVDMUPIBSA-N
Compound name
methyl (E)-3-methoxy-2-[2-[[2-propan-2-yloxy-6-(trifluoromethyl)pyrimidin-4-yl]oxymethyl]phenyl]prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

9
References

17130
Patents

426.14026 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.14754 197.3
[M+Na]+ 449.12948 203.8
[M-H]- 425.13298 197.3
[M+NH4]+ 444.17408 204.2
[M+K]+ 465.10342 200.9
[M+H-H2O]+ 409.13752 184.8
[M+HCOO]- 471.13846 210.5
[M+CH3COO]- 485.15411 226.3
[M+Na-2H]- 447.11493 196.2
[M]+ 426.13971 200.4
[M]- 426.14081 200.4
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