CID 24212568

4-(2-chloro-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarbonitrile

Structural Information

Molecular Formula
C16H14ClN3O
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=C(C(=CC=C2)OC)Cl)C#N
InChI
InChI=1S/C16H14ClN3O/c1-9-12(7-18)15(13(8-19)10(2)20-9)11-5-4-6-14(21-3)16(11)17/h4-6,15,20H,1-3H3
InChIKey
BMIZEFROVJRODX-UHFFFAOYSA-N
Compound name
4-(2-chloro-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.08255 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.089826 171.7
[M+Na]+ 322.071768 183.4
[M-H]- 298.075274 174.8
[M+NH4]+ 317.116373 181.4
[M+K]+ 338.045708 176.5
[M+H-H2O]+ 282.079810 156.3
[M+HCOO]- 344.080751 178.7
[M+CH3COO]- 358.096401 228.4
[M+Na-2H]- 320.057216 170.8
[M]+ 299.08200142 165.0
[M]- 299.08309858 165.0
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.