CID 489281

Methyl 4-(2-chlorophenyl)-6-ethyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C19H18ClN3O2
SMILES
CCC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)OC
InChI
InChI=1S/C19H18ClN3O2/c1-3-14-16(19(24)25-2)17(12-8-4-5-9-13(12)20)23-18(22-14)15-10-6-7-11-21-15/h4-11,17H,3H2,1-2H3,(H,22,23)
InChIKey
CAOKJVHYPKLUKQ-UHFFFAOYSA-N
Compound name
methyl 4-(2-chlorophenyl)-6-ethyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.10876 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.11604 183.4
[M+Na]+ 378.09798 191.8
[M-H]- 354.10148 187.6
[M+NH4]+ 373.14258 192.0
[M+K]+ 394.07192 184.3
[M+H-H2O]+ 338.10602 172.5
[M+HCOO]- 400.10696 195.1
[M+CH3COO]- 414.12261 192.4
[M+Na-2H]- 376.08343 185.4
[M]+ 355.10821 184.8
[M]- 355.10931 184.8
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.