CID 6438265

1-piperidineethanol, alpha-(beta-(2-thienyl)styryl)-, maleate

Structural Information

Molecular Formula
C19H23NOS
SMILES
C1CCN(CC1)CC(/C=C(\C2=CC=CC=C2)/C3=CC=CS3)O
InChI
InChI=1S/C19H23NOS/c21-17(15-20-11-5-2-6-12-20)14-18(19-10-7-13-22-19)16-8-3-1-4-9-16/h1,3-4,7-10,13-14,17,21H,2,5-6,11-12,15H2/b18-14+
InChIKey
VTSFJHOLRGPNAJ-NBVRZTHBSA-N
Compound name
(E)-4-phenyl-1-piperidin-1-yl-4-thiophen-2-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15002 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.157296 175.7
[M+Na]+ 336.139238 178.3
[M-H]- 312.142744 181.3
[M+NH4]+ 331.183843 189.6
[M+K]+ 352.113178 172.8
[M+H-H2O]+ 296.147280 167.4
[M+HCOO]- 358.148221 187.1
[M+CH3COO]- 372.163871 184.2
[M+Na-2H]- 334.124686 172.5
[M]+ 313.14947142 171.1
[M]- 313.15056858 171.1
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.