CID 489299

4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine

Structural Information

Molecular Formula
C16H14ClN3
SMILES
CC1=CC(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl
InChI
InChI=1S/C16H14ClN3/c1-11-10-15(12-6-2-3-7-13(12)17)20-16(19-11)14-8-4-5-9-18-14/h2-10,15H,1H3,(H,19,20)
InChIKey
ITPWTZASSBDLAB-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.08762 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.094896 165.1
[M+Na]+ 306.076838 174.2
[M-H]- 282.080344 169.0
[M+NH4]+ 301.121443 176.6
[M+K]+ 322.050778 166.0
[M+H-H2O]+ 266.084880 154.6
[M+HCOO]- 328.085821 178.2
[M+CH3COO]- 342.101471 175.3
[M+Na-2H]- 304.062286 170.4
[M]+ 283.08707142 163.6
[M]- 283.08816858 163.6
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.