CID 3003251

3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1h-pyridine-2-thione

Structural Information

Molecular Formula
C19H26N2S
SMILES
CCC1=C(NC(=S)C(=C1CC2=CC(=CC(=C2)C)C)N(C)C)C
InChI
InChI=1S/C19H26N2S/c1-7-16-14(4)20-19(22)18(21(5)6)17(16)11-15-9-12(2)8-13(3)10-15/h8-10H,7,11H2,1-6H3,(H,20,22)
InChIKey
YHFCZQXWQDQDQY-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.18167 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.18895 174.3
[M+Na]+ 337.17089 183.6
[M-H]- 313.17439 180.5
[M+NH4]+ 332.21549 189.1
[M+K]+ 353.14483 177.2
[M+H-H2O]+ 297.17893 166.3
[M+HCOO]- 359.17987 190.5
[M+CH3COO]- 373.19552 215.3
[M+Na-2H]- 335.15634 172.0
[M]+ 314.18112 178.2
[M]- 314.18222 178.2
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.