CID 6435628

1-phenyl-4-(1-pyrrolidinyl)-1-(2-thienyl)-3-buten-2-one hydrochloride

Structural Information

Molecular Formula
C18H19NOS
SMILES
C1CCN(C1)/C=C/C(=O)C(C2=CC=CC=C2)C3=CC=CS3
InChI
InChI=1S/C18H19NOS/c20-16(10-13-19-11-4-5-12-19)18(17-9-6-14-21-17)15-7-2-1-3-8-15/h1-3,6-10,13-14,18H,4-5,11-12H2/b13-10+
InChIKey
PFOKDGGIKMMYKG-JLHYYAGUSA-N
Compound name
(E)-1-phenyl-4-pyrrolidin-1-yl-1-thiophen-2-ylbut-3-en-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.11874 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.12602 171.1
[M+Na]+ 320.10796 181.5
[M+NH4]+ 315.15256 179.8
[M+K]+ 336.08190 175.6
[M-H]- 296.11146 175.7
[M+Na-2H]- 318.09341 178.0
[M]+ 297.11819 174.2
[M]- 297.11929 174.2
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.