CID 489264

Methyl 4-(2-fluorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C18H16FN3O2
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3F)C(=O)OC
InChI
InChI=1S/C18H16FN3O2/c1-11-15(18(23)24-2)16(12-7-3-4-8-13(12)19)22-17(21-11)14-9-5-6-10-20-14/h3-10,16H,1-2H3,(H,21,22)
InChIKey
GZOWJEUFNLOBBC-UHFFFAOYSA-N
Compound name
methyl 4-(2-fluorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

325.12265 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.12993 177.3
[M+Na]+ 348.11187 185.6
[M-H]- 324.11537 180.6
[M+NH4]+ 343.15647 186.2
[M+K]+ 364.08581 179.2
[M+H-H2O]+ 308.11991 165.4
[M+HCOO]- 370.12085 193.0
[M+CH3COO]- 384.13650 186.6
[M+Na-2H]- 346.09732 179.6
[M]+ 325.12210 175.2
[M]- 325.12320 175.2
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.