CID 3075839

2-((3,4-dimethoxyphenyl)thio)-n,n,alpha-trimethylbenzeneethanamine ethanedioate (1:1)

Structural Information

Molecular Formula
C19H25NO2S
SMILES
CC(CC1=CC=CC=C1SC2=CC(=C(C=C2)OC)OC)N(C)C
InChI
InChI=1S/C19H25NO2S/c1-14(20(2)3)12-15-8-6-7-9-19(15)23-16-10-11-17(21-4)18(13-16)22-5/h6-11,13-14H,12H2,1-5H3
InChIKey
GACPGDCZXXWKFP-UHFFFAOYSA-N
Compound name
1-[2-(3,4-dimethoxyphenyl)sulfanylphenyl]-N,N-dimethylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

331.1606 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.16788 178.9
[M+Na]+ 354.14982 191.9
[M+NH4]+ 349.19442 187.5
[M+K]+ 370.12376 182.4
[M-H]- 330.15332 184.5
[M+Na-2H]- 352.13527 186.8
[M]+ 331.16005 183.0
[M]- 331.16115 183.0
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.