CID 37573

Bis-2-((4-(o-isopropylphenoxy)butyl)amino)ethyldisulfide dihydrochloride

Structural Information

Molecular Formula
C22H40N2O2S2
SMILES
CC(C)C1=CC=CC=C1OCCCCNCCSSCCNCCCCOC
InChI
InChI=1S/C22H40N2O2S2/c1-20(2)21-10-4-5-11-22(21)26-17-9-7-13-24-15-19-28-27-18-14-23-12-6-8-16-25-3/h4-5,10-11,20,23-24H,6-9,12-19H2,1-3H3
InChIKey
RLHUNCVGJJVQRR-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-[2-[4-(2-propan-2-ylphenoxy)butylamino]ethyldisulfanyl]ethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.2531 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.26038 201.5
[M+Na]+ 451.24232 201.6
[M-H]- 427.24582 201.7
[M+NH4]+ 446.28692 211.2
[M+K]+ 467.21626 195.0
[M+H-H2O]+ 411.25036 191.9
[M+HCOO]- 473.25130 211.8
[M+CH3COO]- 487.26695 233.2
[M+Na-2H]- 449.22777 198.3
[M]+ 428.25255 209.5
[M]- 428.25365 209.5
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.