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]+ 314.095776 171.5
[M+Na]+ 336.077718 180.4
[M-H]- 312.081224 176.9
[M+NH4]+ 331.122323 183.8
[M+K]+ 352.051658 174.6
[M+H-H2O]+ 296.085760 162.6
[M+HCOO]- 358.086701 185.4
[M+CH3COO]- 372.102351 182.0
[M+Na-2H]- 334.063166 170.7
[M]+ 313.08795142 172.8
[M]- 313.08904858 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

patents stripe