CID 1822576

129658-18-0

Structural Information

Molecular Formula
C17H29NO2S
SMILES
CCCCCSC1=C(C=C(C(=C1)OC)CCN(C)C)OC
InChI
InChI=1S/C17H29NO2S/c1-6-7-8-11-21-17-13-15(19-4)14(9-10-18(2)3)12-16(17)20-5/h12-13H,6-11H2,1-5H3
InChIKey
FGNRFRYZVFTXMK-UHFFFAOYSA-N
Compound name
2-(2,5-dimethoxy-4-pentylsulfanylphenyl)-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.1919 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19918 175.8
[M+Na]+ 334.18112 181.5
[M-H]- 310.18462 180.2
[M+NH4]+ 329.22572 192.1
[M+K]+ 350.15506 178.9
[M+H-H2O]+ 294.18916 168.0
[M+HCOO]- 356.19010 194.1
[M+CH3COO]- 370.20575 214.8
[M+Na-2H]- 332.16657 174.3
[M]+ 311.19135 185.1
[M]- 311.19245 185.1
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.