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]+ 257.085556 168.5
[M+Na]+ 279.067498 179.8
[M-H]- 255.071004 171.5
[M+NH4]+ 274.112103 179.4
[M+K]+ 295.041438 175.0
[M+H-H2O]+ 239.075540 152.2
[M+HCOO]- 301.076481 174.8
[M+CH3COO]- 315.092131 175.1
[M+Na-2H]- 277.052946 165.6
[M]+ 256.07773142 161.0
[M]- 256.07882858 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.