CID 6923730

(4r)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile

Structural Information

Molecular Formula
C15H12N4O2
SMILES
CC1=NC(=C([C@H](C1C#N)C2=CC=CC=C2[N+](=O)[O-])C#N)C
InChI
InChI=1S/C15H12N4O2/c1-9-12(7-16)15(13(8-17)10(2)18-9)11-5-3-4-6-14(11)19(20)21/h3-6,12,15H,1-2H3/t12?,15-/m0/s1
InChIKey
CVTUWDWUGUJOAS-CVRLYYSRSA-N
Compound name
(4R)-2,6-dimethyl-4-(2-nitrophenyl)-3,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.09604 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10332 176.5
[M+Na]+ 303.08526 185.8
[M-H]- 279.08876 179.7
[M+NH4]+ 298.12986 185.1
[M+K]+ 319.05920 178.2
[M+H-H2O]+ 263.09330 162.5
[M+HCOO]- 325.09424 187.5
[M+CH3COO]- 339.10989 224.6
[M+Na-2H]- 301.07071 176.7
[M]+ 280.09549 166.9
[M]- 280.09659 166.9
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.