CID 489301

1-[4-(2-chlorophenyl)-6-methyl-2-(2-pyridyl)-1,4-dihydropyrimidin-5-yl]ethanone

Structural Information

Molecular Formula
C18H16ClN3O
SMILES
CC1=C(C(N=C(N1)C2=CC=CC=N2)C3=CC=CC=C3Cl)C(=O)C
InChI
InChI=1S/C18H16ClN3O/c1-11-16(12(2)23)17(13-7-3-4-8-14(13)19)22-18(21-11)15-9-5-6-10-20-15/h3-10,17H,1-2H3,(H,21,22)
InChIKey
GBMNPCZHZKGZLK-UHFFFAOYSA-N
Compound name
1-[4-(2-chlorophenyl)-6-methyl-2-pyridin-2-yl-1,4-dihydropyrimidin-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.09818 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.10546 175.9
[M+Na]+ 348.08740 184.9
[M-H]- 324.09090 180.2
[M+NH4]+ 343.13200 185.8
[M+K]+ 364.06134 176.9
[M+H-H2O]+ 308.09544 165.4
[M+HCOO]- 370.09638 187.8
[M+CH3COO]- 384.11203 185.5
[M+Na-2H]- 346.07285 178.3
[M]+ 325.09763 175.7
[M]- 325.09873 175.7
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.