CID 4431148

2-bromo-4-(2-chlorophenyl)-6-(4-chlorophenyl)-1,4-dihydro-3-pyridinecarbonitrile

Structural Information

Molecular Formula
C18H11BrCl2N2
SMILES
C1=CC=C(C(=C1)C2C=C(NC(=C2C#N)Br)C3=CC=C(C=C3)Cl)Cl
InChI
InChI=1S/C18H11BrCl2N2/c19-18-15(10-22)14(13-3-1-2-4-16(13)21)9-17(23-18)11-5-7-12(20)8-6-11/h1-9,14,23H
InChIKey
IPXVVPAGQBHEBJ-UHFFFAOYSA-N
Compound name
2-bromo-4-(2-chlorophenyl)-6-(4-chlorophenyl)-1,4-dihydropyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.94827 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.95555 181.8
[M+Na]+ 426.93749 197.5
[M-H]- 402.94099 187.5
[M+NH4]+ 421.98209 194.7
[M+K]+ 442.91143 179.2
[M+H-H2O]+ 386.94553 174.3
[M+HCOO]- 448.94647 190.1
[M+CH3COO]- 462.96212 192.1
[M+Na-2H]- 424.92294 184.2
[M]+ 403.94772 193.8
[M]- 403.94882 193.8
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.