CID 489286

5-pyrimidinecarboxylic acid, 4-(2-chlorophenyl)-1,4-dihydro-6-(3-methoxyphenyl)-2-(2-pyridinyl)-, methyl ester

Structural Information

Molecular Formula
C24H20ClN3O3
SMILES
COC1=CC=CC(=C1)C2=C(C(N=C(N2)C3=CC=CC=N3)C4=CC=CC=C4Cl)C(=O)OC
InChI
InChI=1S/C24H20ClN3O3/c1-30-16-9-7-8-15(14-16)21-20(24(29)31-2)22(17-10-3-4-11-18(17)25)28-23(27-21)19-12-5-6-13-26-19/h3-14,22H,1-2H3,(H,27,28)
InChIKey
ADJJDDPDIBHUPA-UHFFFAOYSA-N
Compound name
methyl 4-(2-chlorophenyl)-6-(3-methoxyphenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.11932 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12660 203.8
[M+Na]+ 456.10854 211.6
[M-H]- 432.11204 210.9
[M+NH4]+ 451.15314 208.4
[M+K]+ 472.08248 203.5
[M+H-H2O]+ 416.11658 190.7
[M+HCOO]- 478.11752 214.8
[M+CH3COO]- 492.13317 211.3
[M+Na-2H]- 454.09399 204.7
[M]+ 433.11877 205.8
[M]- 433.11987 205.8
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.