CID 489298

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

Structural Information

Molecular Formula
C20H20ClN3O3
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OCCOC
InChI
InChI=1S/C20H20ClN3O3/c1-13-17(20(25)27-12-11-26-2)18(14-7-3-4-8-15(14)21)24-19(23-13)16-9-5-6-10-22-16/h3-10,18H,11-12H2,1-2H3,(H,23,24)
InChIKey
VCBNBLOQFAKTNN-UHFFFAOYSA-N
Compound name
2-methoxyethyl 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

0
Patents

385.11932 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.12660 190.3
[M+Na]+ 408.10854 198.0
[M-H]- 384.11204 194.3
[M+NH4]+ 403.15314 197.6
[M+K]+ 424.08248 191.1
[M+H-H2O]+ 368.11658 178.9
[M+HCOO]- 430.11752 201.9
[M+CH3COO]- 444.13317 215.7
[M+Na-2H]- 406.09399 191.8
[M]+ 385.11877 193.4
[M]- 385.11987 193.4
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.