CID 67761489

3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,2,3,4-tetrahydropyrimidin-2-one

Structural Information

Molecular Formula
C16H11ClF2N2O
SMILES
C1C=C(NC(=O)N1C2=CC=C(C=C2)Cl)C3=C(C=CC=C3F)F
InChI
InChI=1S/C16H11ClF2N2O/c17-10-4-6-11(7-5-10)21-9-8-14(20-16(21)22)15-12(18)2-1-3-13(15)19/h1-8H,9H2,(H,20,22)
InChIKey
SLTYVDNPRGFZFN-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-6-(2,6-difluorophenyl)-1,4-dihydropyrimidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

320.0528 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.06008 170.1
[M+Na]+ 343.04202 180.4
[M-H]- 319.04552 173.2
[M+NH4]+ 338.08662 181.8
[M+K]+ 359.01596 171.8
[M+H-H2O]+ 303.05006 158.9
[M+HCOO]- 365.05100 181.5
[M+CH3COO]- 379.06665 180.0
[M+Na-2H]- 341.02747 171.6
[M]+ 320.05225 166.3
[M]- 320.05335 166.3
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

patents stripe