CID 24208985

2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydro-3,5-pyridinedicarbonitrile

Structural Information

Molecular Formula
C13H12N4S
SMILES
CC1=CSC(=N1)C2C(=C(NC(=C2C#N)C)C)C#N
InChI
InChI=1S/C13H12N4S/c1-7-6-18-13(16-7)12-10(4-14)8(2)17-9(3)11(12)5-15/h6,12,17H,1-3H3
InChIKey
IJRSCDSAHLKRQX-UHFFFAOYSA-N
Compound name
2,6-dimethyl-4-(4-methyl-1,3-thiazol-2-yl)-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.07828 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.08556 168.5
[M+Na]+ 279.06750 179.8
[M-H]- 255.07100 171.5
[M+NH4]+ 274.11210 179.4
[M+K]+ 295.04144 175.0
[M+H-H2O]+ 239.07554 152.2
[M+HCOO]- 301.07648 174.8
[M+CH3COO]- 315.09213 175.1
[M+Na-2H]- 277.05295 165.6
[M]+ 256.07773 161.0
[M]- 256.07883 161.0
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.