CID 457204

4-[4-(4-propoxyphenyl)sulfanylbut-2-ynyl]morpholine

Structural Information

Molecular Formula
C17H23NO2S
SMILES
CCCOC1=CC=C(C=C1)SCC#CCN2CCOCC2
InChI
InChI=1S/C17H23NO2S/c1-2-12-20-16-5-7-17(8-6-16)21-15-4-3-9-18-10-13-19-14-11-18/h5-8H,2,9-15H2,1H3
InChIKey
OIKZNKVQTLLLPJ-UHFFFAOYSA-N
Compound name
4-[4-(4-propoxyphenyl)sulfanylbut-2-ynyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.14496 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.15224 169.1
[M+Na]+ 328.13418 176.4
[M-H]- 304.13768 171.9
[M+NH4]+ 323.17878 180.4
[M+K]+ 344.10812 171.5
[M+H-H2O]+ 288.14222 154.9
[M+HCOO]- 350.14316 177.0
[M+CH3COO]- 364.15881 206.6
[M+Na-2H]- 326.11963 169.5
[M]+ 305.14441 165.2
[M]- 305.14551 165.2
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.