CID 3087505

Brn 5627461

Structural Information

Molecular Formula
C18H22F2N2O4
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2OC(F)F)C(=O)OCCC(C)C
InChI
InChI=1S/C18H22F2N2O4/c1-10(2)8-9-25-16(23)14-11(3)21-18(24)22-15(14)12-6-4-5-7-13(12)26-17(19)20/h4-7,10,15,17H,8-9H2,1-3H3,(H2,21,22,24)
InChIKey
UGEGZCODCKHVJS-UHFFFAOYSA-N
Compound name
3-methylbutyl 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

368.15475 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.16203 185.4
[M+Na]+ 391.14397 190.6
[M-H]- 367.14747 183.6
[M+NH4]+ 386.18857 193.4
[M+K]+ 407.11791 186.0
[M+H-H2O]+ 351.15201 174.8
[M+HCOO]- 413.15295 195.9
[M+CH3COO]- 427.16860 214.0
[M+Na-2H]- 389.12942 181.2
[M]+ 368.15420 182.2
[M]- 368.15530 182.2
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.