CID 854348

64089-24-3

Structural Information

Molecular Formula
C14H12N4
SMILES
CC1=C(C(C(=C(N1)C)C#N)C2=CN=CC=C2)C#N
InChI
InChI=1S/C14H12N4/c1-9-12(6-15)14(11-4-3-5-17-8-11)13(7-16)10(2)18-9/h3-5,8,14,18H,1-2H3
InChIKey
HQRBSQHVTZZIRC-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-pyridin-3-yl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

236.1062 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.11348 161.8
[M+Na]+ 259.09542 171.7
[M-H]- 235.09892 163.1
[M+NH4]+ 254.14002 170.9
[M+K]+ 275.06936 166.0
[M+H-H2O]+ 219.10346 144.7
[M+HCOO]- 281.10440 170.8
[M+CH3COO]- 295.12005 167.9
[M+Na-2H]- 257.08087 162.6
[M]+ 236.10565 151.8
[M]- 236.10675 151.8
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.