CID 3078434

121112-76-3

Structural Information

Molecular Formula
C16H18F2N2O4
SMILES
CCCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OC(F)F)C
InChI
InChI=1S/C16H18F2N2O4/c1-3-8-23-14(21)12-9(2)19-16(22)20-13(12)10-6-4-5-7-11(10)24-15(17)18/h4-7,13,15H,3,8H2,1-2H3,(H2,19,20,22)
InChIKey
WNVLDABJRYABJU-UHFFFAOYSA-N
Compound name
propyl 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

340.12347 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.13075 177.1
[M+Na]+ 363.11269 183.3
[M-H]- 339.11619 175.5
[M+NH4]+ 358.15729 186.3
[M+K]+ 379.08663 178.6
[M+H-H2O]+ 323.12073 166.5
[M+HCOO]- 385.12167 189.2
[M+CH3COO]- 399.13732 207.2
[M+Na-2H]- 361.09814 174.9
[M]+ 340.12292 173.7
[M]- 340.12402 173.7
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.