CID 6438265

Alpha-(beta-(2-thienyl)styryl)-1-piperidineethanol 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]+ 314.15730 175.7
[M+Na]+ 336.13924 178.3
[M-H]- 312.14274 181.3
[M+NH4]+ 331.18384 189.6
[M+K]+ 352.11318 172.8
[M+H-H2O]+ 296.14728 167.4
[M+HCOO]- 358.14822 187.1
[M+CH3COO]- 372.16387 184.2
[M+Na-2H]- 334.12469 172.5
[M]+ 313.14947 171.1
[M]- 313.15057 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.