CID 3511124

N-(4,6-dimethoxy-2-pyrimidinyl)-n'-(3-(trifluoromethyl)phenyl)urea

Structural Information

Molecular Formula
C14H13F3N4O3
SMILES
COC1=CC(=NC(=N1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)OC
InChI
InChI=1S/C14H13F3N4O3/c1-23-10-7-11(24-2)20-12(19-10)21-13(22)18-9-5-3-4-8(6-9)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKey
OMGRQDVVMYEKLC-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.09396 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.101236 174.6
[M+Na]+ 365.083178 182.7
[M-H]- 341.086684 175.4
[M+NH4]+ 360.127783 184.8
[M+K]+ 381.057118 179.1
[M+H-H2O]+ 325.091220 162.5
[M+HCOO]- 387.092161 193.3
[M+CH3COO]- 401.107811 213.8
[M+Na-2H]- 363.068626 179.6
[M]+ 342.09341142 173.3
[M]- 342.09450858 173.3
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.