CID 212757

Alpha-hydroxy-n-methyl-alpha-phenyl-n-(2-pyrrolidinoethyl)-2-thiopheneacetamide hydrochloride

Structural Information

Molecular Formula
C19H24N2O2S
SMILES
CN(CCN1CCCC1)C(=O)C(C2=CC=CC=C2)(C3=CC=CS3)O
InChI
InChI=1S/C19H24N2O2S/c1-20(13-14-21-11-5-6-12-21)18(22)19(23,17-10-7-15-24-17)16-8-3-2-4-9-16/h2-4,7-10,15,23H,5-6,11-14H2,1H3
InChIKey
KYOSBCMEQFFNAD-UHFFFAOYSA-N
Compound name
2-hydroxy-N-methyl-2-phenyl-N-(2-pyrrolidin-1-ylethyl)-2-thiophen-2-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.15585 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.163126 184.2
[M+Na]+ 367.145068 187.5
[M-H]- 343.148574 192.2
[M+NH4]+ 362.189673 199.3
[M+K]+ 383.119008 184.4
[M+H-H2O]+ 327.153110 176.5
[M+HCOO]- 389.154051 199.1
[M+CH3COO]- 403.169701 209.2
[M+Na-2H]- 365.130516 181.8
[M]+ 344.15530142 184.2
[M]- 344.15639858 184.2
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.