CID 3078435

121112-77-4

Structural Information

Molecular Formula
C17H20F2N2O4
SMILES
CCCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2OC(F)F)C)C
InChI
InChI=1S/C17H20F2N2O4/c1-4-9-24-15(22)13-10(2)21(3)17(23)20-14(13)11-7-5-6-8-12(11)25-16(18)19/h5-8,14,16H,4,9H2,1-3H3,(H,20,23)
InChIKey
WASRGYNYDNVCPT-UHFFFAOYSA-N
Compound name
propyl 6-[2-(difluoromethoxy)phenyl]-3,4-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.1391 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14638 181.0
[M+Na]+ 377.12832 188.2
[M-H]- 353.13182 181.0
[M+NH4]+ 372.17292 190.6
[M+K]+ 393.10226 184.1
[M+H-H2O]+ 337.13636 170.2
[M+HCOO]- 399.13730 194.3
[M+CH3COO]- 413.15295 213.8
[M+Na-2H]- 375.11377 178.1
[M]+ 354.13855 180.2
[M]- 354.13965 180.2
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.