CID 4285509

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

Structural Information

Molecular Formula
C18H12BrClN2
SMILES
C1=CC=C(C=C1)C2=CC(NC(=C2C#N)Br)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H12BrClN2/c19-18-16(11-21)15(12-4-2-1-3-5-12)10-17(22-18)13-6-8-14(20)9-7-13/h1-10,17,22H
InChIKey
FEEJGFAYVQNLHR-UHFFFAOYSA-N
Compound name
6-bromo-2-(4-chlorophenyl)-4-phenyl-1,2-dihydropyridine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.98724 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.99452 177.9
[M+Na]+ 392.97646 192.2
[M-H]- 368.97996 183.8
[M+NH4]+ 388.02106 191.1
[M+K]+ 408.95040 174.7
[M+H-H2O]+ 352.98450 169.6
[M+HCOO]- 414.98544 190.4
[M+CH3COO]- 429.00109 188.4
[M+Na-2H]- 390.96191 181.4
[M]+ 369.98669 188.4
[M]- 369.98779 188.4
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.