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]+ 345.16313 184.2
[M+Na]+ 367.14507 187.5
[M-H]- 343.14857 192.2
[M+NH4]+ 362.18967 199.3
[M+K]+ 383.11901 184.4
[M+H-H2O]+ 327.15311 176.5
[M+HCOO]- 389.15405 199.1
[M+CH3COO]- 403.16970 209.2
[M+Na-2H]- 365.13052 181.8
[M]+ 344.15530 184.2
[M]- 344.15640 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.