CID 489295

Isopropyl 4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C20H20ClN3O2
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC(C)C
InChI
InChI=1S/C20H20ClN3O2/c1-12(2)26-20(25)17-13(3)23-19(16-10-6-7-11-22-16)24-18(17)14-8-4-5-9-15(14)21/h4-12,18H,1-3H3,(H,23,24)
InChIKey
RCGUWOJMRHWRLQ-UHFFFAOYSA-N
Compound name
propan-2-yl 4-(2-chlorophenyl)-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

369.1244 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.13168 186.7
[M+Na]+ 392.11362 194.4
[M-H]- 368.11712 190.9
[M+NH4]+ 387.15822 194.7
[M+K]+ 408.08756 187.3
[M+H-H2O]+ 352.12166 175.9
[M+HCOO]- 414.12260 197.2
[M+CH3COO]- 428.13825 195.3
[M+Na-2H]- 390.09907 187.2
[M]+ 369.12385 188.0
[M]- 369.12495 188.0
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.