CID 489269

Methyl 6-methyl-4-(o-tolyl)-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C19H19N3O2
SMILES
CC1=CC=CC=C1C2C(=C(NC(=N2)C3=CC=CC=N3)C)C(=O)OC
InChI
InChI=1S/C19H19N3O2/c1-12-8-4-5-9-14(12)17-16(19(23)24-3)13(2)21-18(22-17)15-10-6-7-11-20-15/h4-11,17H,1-3H3,(H,21,22)
InChIKey
GXPWGWTYBDESEY-UHFFFAOYSA-N
Compound name
methyl 6-methyl-4-(2-methylphenyl)-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

321.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.15502 178.7
[M+Na]+ 344.13696 186.5
[M-H]- 320.14046 183.2
[M+NH4]+ 339.18156 187.8
[M+K]+ 360.11090 180.3
[M+H-H2O]+ 304.14500 167.6
[M+HCOO]- 366.14594 195.1
[M+CH3COO]- 380.16159 188.1
[M+Na-2H]- 342.12241 181.0
[M]+ 321.14719 177.9
[M]- 321.14829 177.9
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.