CID 198921

4-diethylamino-2-butynyl phenyl(2-thienyl)glycolate hydrochloride

Structural Information

Molecular Formula
C20H23NO3S
SMILES
CCN(CC)CC#CCOC(=O)C(C1=CC=CC=C1)(C2=CC=CS2)O
InChI
InChI=1S/C20H23NO3S/c1-3-21(4-2)14-8-9-15-24-19(22)20(23,18-13-10-16-25-18)17-11-6-5-7-12-17/h5-7,10-13,16,23H,3-4,14-15H2,1-2H3
InChIKey
YDVLSGWXSXZBLZ-UHFFFAOYSA-N
Compound name
4-(diethylamino)but-2-ynyl 2-hydroxy-2-phenyl-2-thiophen-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

357.13986 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 358.14714 181.5
[M+Na]+ 380.12908 190.1
[M+NH4]+ 375.17368 184.6
[M+K]+ 396.10302 181.3
[M-H]- 356.13258 175.7
[M+Na-2H]- 378.11453 183.8
[M]+ 357.13931 180.6
[M]- 357.14041 180.6
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.