CID 72176

Tipropidil

Structural Information

Molecular Formula
C20H35NO2S
SMILES
CCCCCCCCNCC(COC1=CC=C(C=C1)SC(C)C)O
InChI
InChI=1S/C20H35NO2S/c1-4-5-6-7-8-9-14-21-15-18(22)16-23-19-10-12-20(13-11-19)24-17(2)3/h10-13,17-18,21-22H,4-9,14-16H2,1-3H3
InChIKey
ZAPDURRCHSKKKK-UHFFFAOYSA-N
Compound name
1-(octylamino)-3-(4-propan-2-ylsulfanylphenoxy)propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

351
Patents

353.23886 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.24614 190.0
[M+Na]+ 376.22808 191.4
[M-H]- 352.23158 190.2
[M+NH4]+ 371.27268 202.4
[M+K]+ 392.20202 186.8
[M+H-H2O]+ 336.23612 181.8
[M+HCOO]- 398.23706 203.3
[M+CH3COO]- 412.25271 217.0
[M+Na-2H]- 374.21353 186.4
[M]+ 353.23831 195.2
[M]- 353.23941 195.2
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.