CID 489266

Methyl 6-methyl-2-(2-pyridyl)-4-(3-thienyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C16H15N3O2S
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CSC=C3)C(=O)OC
InChI
InChI=1S/C16H15N3O2S/c1-10-13(16(20)21-2)14(11-6-8-22-9-11)19-15(18-10)12-5-3-4-7-17-12/h3-9,14H,1-2H3,(H,18,19)
InChIKey
DPTOAWSLTZRXGV-UHFFFAOYSA-N
Compound name
methyl 6-methyl-2-pyridin-2-yl-4-thiophen-3-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

313.0885 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.09578 171.5
[M+Na]+ 336.07772 180.4
[M-H]- 312.08122 176.9
[M+NH4]+ 331.12232 183.8
[M+K]+ 352.05166 174.6
[M+H-H2O]+ 296.08576 162.6
[M+HCOO]- 358.08670 185.4
[M+CH3COO]- 372.10235 182.0
[M+Na-2H]- 334.06317 170.7
[M]+ 313.08795 172.8
[M]- 313.08905 172.8
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.