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]+ 284.09490 165.1
[M+Na]+ 306.07684 174.2
[M-H]- 282.08034 169.0
[M+NH4]+ 301.12144 176.6
[M+K]+ 322.05078 166.0
[M+H-H2O]+ 266.08488 154.6
[M+HCOO]- 328.08582 178.2
[M+CH3COO]- 342.10147 175.3
[M+Na-2H]- 304.06229 170.4
[M]+ 283.08707 163.6
[M]- 283.08817 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.