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]+ 343.10124 174.6
[M+Na]+ 365.08318 182.7
[M-H]- 341.08668 175.4
[M+NH4]+ 360.12778 184.8
[M+K]+ 381.05712 179.1
[M+H-H2O]+ 325.09122 162.5
[M+HCOO]- 387.09216 193.4
[M+CH3COO]- 401.10781 213.8
[M+Na-2H]- 363.06863 179.6
[M]+ 342.09341 173.3
[M]- 342.09451 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.