CID 489267

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

Structural Information

Molecular Formula
C18H17N3O2
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3)C(=O)OC
InChI
InChI=1S/C18H17N3O2/c1-12-15(18(22)23-2)16(13-8-4-3-5-9-13)21-17(20-12)14-10-6-7-11-19-14/h3-11,16H,1-2H3,(H,20,21)
InChIKey
BDAKUXMGZACLJX-UHFFFAOYSA-N
Compound name
methyl 6-methyl-4-phenyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.13208 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.13936 173.9
[M+Na]+ 330.12130 181.2
[M-H]- 306.12480 178.2
[M+NH4]+ 325.16590 183.3
[M+K]+ 346.09524 175.2
[M+H-H2O]+ 290.12934 162.7
[M+HCOO]- 352.13028 190.6
[M+CH3COO]- 366.14593 183.4
[M+Na-2H]- 328.10675 177.5
[M]+ 307.13153 172.3
[M]- 307.13263 172.3
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.