CID 3086793

Brn 5607613

Structural Information

Molecular Formula
C14H14F2N2O4
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(F)F)C(=O)OC
InChI
InChI=1S/C14H14F2N2O4/c1-7-10(12(19)21-2)11(18-14(20)17-7)8-5-3-4-6-9(8)22-13(15)16/h3-6,11,13H,1-2H3,(H2,17,18,20)
InChIKey
YZBMVRDDQRKSKO-UHFFFAOYSA-N
Compound name
methyl 4-[2-(difluoromethoxy)phenyl]-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.09216 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.099436 168.1
[M+Na]+ 335.081378 175.3
[M-H]- 311.084884 166.9
[M+NH4]+ 330.125983 178.5
[M+K]+ 351.055318 171.0
[M+H-H2O]+ 295.089420 157.9
[M+HCOO]- 357.090361 180.9
[M+CH3COO]- 371.106011 201.3
[M+Na-2H]- 333.066826 167.0
[M]+ 312.09161142 164.0
[M]- 312.09270858 164.0
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.