CID 3025264

Beta-diisopropylaminoethyl alpha-(2-cyclohexenyl)-alpha-(2-thienyl)-acetate hydrochloride

Structural Information

Molecular Formula
C20H31NO2S
SMILES
CC(C)N(CCOC(=O)C(C1CCCC=C1)C2=CC=CS2)C(C)C
InChI
InChI=1S/C20H31NO2S/c1-15(2)21(16(3)4)12-13-23-20(22)19(18-11-8-14-24-18)17-9-6-5-7-10-17/h6,8-9,11,14-17,19H,5,7,10,12-13H2,1-4H3
InChIKey
QTMYUJVVJGBKNX-UHFFFAOYSA-N
Compound name
2-[di(propan-2-yl)amino]ethyl 2-cyclohex-2-en-1-yl-2-thiophen-2-ylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.20755 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21483 185.6
[M+Na]+ 372.19677 192.3
[M+NH4]+ 367.24137 192.9
[M+K]+ 388.17071 187.2
[M-H]- 348.20027 188.7
[M+Na-2H]- 370.18222 189.3
[M]+ 349.20700 187.6
[M]- 349.20810 187.6
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.