CID 489284

Methyl 4-(2-chlorophenyl)-6-formyl-2-(2-pyridyl)-1,4-dihydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C18H14ClN3O3
SMILES
COC(=O)C1=C(NC(=NC1C2=CC=CC=C2Cl)C3=CC=CC=N3)C=O
InChI
InChI=1S/C18H14ClN3O3/c1-25-18(24)15-14(10-23)21-17(13-8-4-5-9-20-13)22-16(15)11-6-2-3-7-12(11)19/h2-10,16H,1H3,(H,21,22)
InChIKey
GUXKSNFXEIFGCH-UHFFFAOYSA-N
Compound name
methyl 4-(2-chlorophenyl)-6-formyl-2-pyridin-2-yl-1,4-dihydropyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.07236 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.07964 180.7
[M+Na]+ 378.06158 189.7
[M-H]- 354.06508 185.2
[M+NH4]+ 373.10618 189.2
[M+K]+ 394.03552 182.6
[M+H-H2O]+ 338.06962 169.9
[M+HCOO]- 400.07056 193.2
[M+CH3COO]- 414.08621 190.1
[M+Na-2H]- 376.04703 183.3
[M]+ 355.07181 182.5
[M]- 355.07291 182.5
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.