CID 6447153

2-(4-(1-pyrrolidinyl)butoxy)stilbene hydrochloride

Structural Information

Molecular Formula
C22H27NO
SMILES
C1CCN(C1)CCCCOC2=CC=CC=C2/C=C/C3=CC=CC=C3
InChI
InChI=1S/C22H27NO/c1-2-10-20(11-3-1)14-15-21-12-4-5-13-22(21)24-19-9-8-18-23-16-6-7-17-23/h1-5,10-15H,6-9,16-19H2/b15-14+
InChIKey
OIQVQOXTRFJBJH-CCEZHUSRSA-N
Compound name
1-[4-[2-[(E)-2-phenylethenyl]phenoxy]butyl]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

321.20926 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.21654 181.0
[M+Na]+ 344.19848 184.4
[M-H]- 320.20198 187.6
[M+NH4]+ 339.24308 194.8
[M+K]+ 360.17242 178.3
[M+H-H2O]+ 304.20652 170.8
[M+HCOO]- 366.20746 200.9
[M+CH3COO]- 380.22311 206.6
[M+Na-2H]- 342.18393 181.5
[M]+ 321.20871 179.4
[M]- 321.20981 179.4
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

patents stripe