CID 3075648

194099-60-0

Structural Information

Molecular Formula
C23H28N2O3
SMILES
CCC1=C(OC2=CC=CC=C21)C(CN3CCN(CC3)C4=CC=C(C=C4)OC)O
InChI
InChI=1S/C23H28N2O3/c1-3-19-20-6-4-5-7-22(20)28-23(19)21(26)16-24-12-14-25(15-13-24)17-8-10-18(27-2)11-9-17/h4-11,21,26H,3,12-16H2,1-2H3
InChIKey
SIOHRKOVEHQVCK-UHFFFAOYSA-N
Compound name
1-(3-ethyl-1-benzofuran-2-yl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.21 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.21728 193.9
[M+Na]+ 403.19922 208.1
[M+NH4]+ 398.24382 201.1
[M+K]+ 419.17316 202.3
[M-H]- 379.20272 200.2
[M+Na-2H]- 401.18467 200.3
[M]+ 380.20945 197.8
[M]- 380.21055 197.8
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.