CID 3075994

N-methyl-2-(2-hydroxy-5-methoxy-4-(pentylthio)phenyl)-3-methylbutylamine maleate

Structural Information

Molecular Formula
C18H31NO2S
SMILES
CCCCCSC1=C(C=C(C(=C1)O)C(CNC)C(C)C)OC
InChI
InChI=1S/C18H31NO2S/c1-6-7-8-9-22-18-11-16(20)14(10-17(18)21-5)15(12-19-4)13(2)3/h10-11,13,15,19-20H,6-9,12H2,1-5H3
InChIKey
GBWZKWXAMNEFFC-UHFFFAOYSA-N
Compound name
4-methoxy-2-[3-methyl-1-(methylamino)butan-2-yl]-5-pentylsulfanylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.20755 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.21483 181.3
[M+Na]+ 348.19677 190.3
[M+NH4]+ 343.24137 188.0
[M+K]+ 364.17071 182.2
[M-H]- 324.20027 182.9
[M+Na-2H]- 346.18222 183.8
[M]+ 325.20700 183.4
[M]- 325.20810 183.4
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.