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

0
References

0
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 172.0
[M+Na]+ 316.18179 178.2
[M-H]- 292.18529 176.9
[M+NH4]+ 311.22639 188.3
[M+K]+ 332.15573 175.4
[M+H-H2O]+ 276.18983 163.6
[M+HCOO]- 338.19077 190.6
[M+CH3COO]- 352.20642 217.3
[M+Na-2H]- 314.16724 170.8
[M]+ 293.19202 178.5
[M]- 293.19312 178.5
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.