CID 489302

4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylic acid

Structural Information

Molecular Formula
C17H14ClN3O2
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)O
InChI
InChI=1S/C17H14ClN3O2/c1-10-14(17(22)23)15(11-6-2-3-7-12(11)18)21-16(20-10)13-8-4-5-9-19-13/h2-9,15H,1H3,(H,20,21)(H,22,23)
InChIKey
BPLPFXRMZGYYPR-UHFFFAOYSA-N
Compound name
4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.07745 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.08473 174.4
[M+Na]+ 350.06667 183.2
[M-H]- 326.07017 177.6
[M+NH4]+ 345.11127 183.4
[M+K]+ 366.04061 175.4
[M+H-H2O]+ 310.07471 164.3
[M+HCOO]- 372.07565 185.3
[M+CH3COO]- 386.09130 183.6
[M+Na-2H]- 348.05212 177.0
[M]+ 327.07690 173.5
[M]- 327.07800 173.5
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.