CID 137700577

178403-35-5

Structural Information

Molecular Formula
C13H12F3N5O3
SMILES
COC1=CC(=NC(=N1)N(C2=C(C=CC=N2)C(F)(F)F)C(=O)N)OC
InChI
InChI=1S/C13H12F3N5O3/c1-23-8-6-9(24-2)20-12(19-8)21(11(17)22)10-7(13(14,15)16)4-3-5-18-10/h3-6H,1-2H3,(H2,17,22)
InChIKey
WIGINONAXQYKLJ-UHFFFAOYSA-N
Compound name
1-(4,6-dimethoxypyrimidin-2-yl)-1-[3-(trifluoromethyl)pyridin-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

0
Patents

343.08923 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.09651 174.4
[M+Na]+ 366.07845 183.0
[M-H]- 342.08195 175.1
[M+NH4]+ 361.12305 183.4
[M+K]+ 382.05239 180.3
[M+H-H2O]+ 326.08649 161.7
[M+HCOO]- 388.08743 192.0
[M+CH3COO]- 402.10308 217.0
[M+Na-2H]- 364.06390 178.4
[M]+ 343.08868 173.6
[M]- 343.08978 173.6
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

No patent data available for this compound.