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)-2-pyridinyl]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]+ 344.096506 174.4
[M+Na]+ 366.078448 183.0
[M-H]- 342.081954 175.1
[M+NH4]+ 361.123053 183.4
[M+K]+ 382.052388 180.3
[M+H-H2O]+ 326.086490 161.7
[M+HCOO]- 388.087431 192.0
[M+CH3COO]- 402.103081 217.0
[M+Na-2H]- 364.063896 178.4
[M]+ 343.08868142 173.6
[M]- 343.08977858 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.