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]+ 300.08983 171.7
[M+Na]+ 322.07177 183.4
[M-H]- 298.07527 174.8
[M+NH4]+ 317.11637 181.4
[M+K]+ 338.04571 176.5
[M+H-H2O]+ 282.07981 156.3
[M+HCOO]- 344.08075 178.7
[M+CH3COO]- 358.09640 228.4
[M+Na-2H]- 320.05722 170.8
[M]+ 299.08200 165.0
[M]- 299.08310 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.