CID 3086795

Brn 5613602

Structural Information

Molecular Formula
C15H16F2N2O4
SMILES
CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2OC(F)F)C
InChI
InChI=1S/C15H16F2N2O4/c1-3-22-13(20)11-8(2)18-15(21)19-12(11)9-6-4-5-7-10(9)23-14(16)17/h4-7,12,14H,3H2,1-2H3,(H2,18,19,21)
InChIKey
RJEWIVNHUVUIRA-UHFFFAOYSA-N
Compound name
ethyl 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

326.10782 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.11510 172.6
[M+Na]+ 349.09704 179.3
[M-H]- 325.10054 171.2
[M+NH4]+ 344.14164 182.4
[M+K]+ 365.07098 174.8
[M+H-H2O]+ 309.10508 162.2
[M+HCOO]- 371.10602 185.1
[M+CH3COO]- 385.12167 204.2
[M+Na-2H]- 347.08249 171.0
[M]+ 326.10727 168.9
[M]- 326.10837 168.9
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.