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]+ 326.129926 177.3
[M+Na]+ 348.111868 185.6
[M-H]- 324.115374 180.6
[M+NH4]+ 343.156473 186.2
[M+K]+ 364.085808 179.2
[M+H-H2O]+ 308.119910 165.4
[M+HCOO]- 370.120851 193.0
[M+CH3COO]- 384.136501 186.6
[M+Na-2H]- 346.097316 179.6
[M]+ 325.12210142 175.2
[M]- 325.12319858 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

patents stripe