CID 3086788

Brn 5623638

Structural Information

Molecular Formula
C17H20F2N2O4
SMILES
CC1=C(C(NC(=O)N1C)C2=CC=CC=C2OC(F)F)C(=O)OC(C)C
InChI
InChI=1S/C17H20F2N2O4/c1-9(2)24-15(22)13-10(3)21(4)17(23)20-14(13)11-7-5-6-8-12(11)25-16(18)19/h5-9,14,16H,1-4H3,(H,20,23)
InChIKey
NSUYMLINQCECJQ-UHFFFAOYSA-N
Compound name
propan-2-yl 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

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.14638 180.1
[M+Na]+ 377.12832 187.1
[M-H]- 353.13182 180.3
[M+NH4]+ 372.17292 189.7
[M+K]+ 393.10226 183.7
[M+H-H2O]+ 337.13636 169.7
[M+HCOO]- 399.13730 192.5
[M+CH3COO]- 413.15295 214.7
[M+Na-2H]- 375.11377 176.2
[M]+ 354.13855 178.8
[M]- 354.13965 178.8
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.