CID 165755063

N'-{2,5-dimethyl-6-[(3-methylbutyl)sulfanyl]pyridin-3-yl}-n-ethyl-n-methylmethanimidamide dihydrochloride

Structural Information

Molecular Formula
C16H27N3S
SMILES
CCN(C)C=NC1=C(N=C(C(=C1)C)SCCC(C)C)C
InChI
InChI=1S/C16H27N3S/c1-7-19(6)11-17-15-10-13(4)16(18-14(15)5)20-9-8-12(2)3/h10-12H,7-9H2,1-6H3
InChIKey
QQQWFKITTSUQNH-UHFFFAOYSA-N
Compound name
N'-[2,5-dimethyl-6-(3-methylbutylsulfanyl)pyridin-3-yl]-N-ethyl-N-methylmethanimidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

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Patents

293.19257 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.19985 173.7
[M+Na]+ 316.18179 184.3
[M+NH4]+ 311.22639 181.3
[M+K]+ 332.15573 175.1
[M-H]- 292.18529 177.1
[M+Na-2H]- 314.16724 178.4
[M]+ 293.19202 176.6
[M]- 293.19312 176.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.