CID 4660818

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

Structural Information

Molecular Formula
C14H13F3N4O
SMILES
CC1=CC(=NC(=N1)NC(=O)NC2=CC=CC(=C2)C(F)(F)F)C
InChI
InChI=1S/C14H13F3N4O/c1-8-6-9(2)19-12(18-8)21-13(22)20-11-5-3-4-10(7-11)14(15,16)17/h3-7H,1-2H3,(H2,18,19,20,21,22)
InChIKey
ZGROCSCHBNPHLK-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-3-[3-(trifluoromethyl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.10416 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.11144 169.3
[M+Na]+ 333.09338 177.8
[M-H]- 309.09688 170.1
[M+NH4]+ 328.13798 181.0
[M+K]+ 349.06732 172.8
[M+H-H2O]+ 293.10142 157.7
[M+HCOO]- 355.10236 187.6
[M+CH3COO]- 369.11801 209.4
[M+Na-2H]- 331.07883 173.9
[M]+ 310.10361 165.2
[M]- 310.10471 165.2
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.