CID 45050975

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

Structural Information

Molecular Formula
C15H12ClN3O
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=C(C(=CC=C2)O)Cl)C#N
InChI
InChI=1S/C15H12ClN3O/c1-8-11(6-17)14(12(7-18)9(2)19-8)10-4-3-5-13(20)15(10)16/h3-5,14,19-20H,1-2H3
InChIKey
BMRTZFZYCJSJOD-UHFFFAOYSA-N
Compound name
4-(2-chloro-3-hydroxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

285.0669 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.07418 178.8
[M+Na]+ 308.05612 189.2
[M+NH4]+ 303.10072 179.3
[M+K]+ 324.03006 178.1
[M-H]- 284.05962 169.8
[M+Na-2H]- 306.04157 178.5
[M]+ 285.06635 176.7
[M]- 285.06745 176.7
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.