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

literature stripe

Patent stripe

patents stripe