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]+ 381.217276 193.6
[M+Na]+ 403.199218 199.3
[M-H]- 379.202724 200.5
[M+NH4]+ 398.243823 203.0
[M+K]+ 419.173158 194.8
[M+H-H2O]+ 363.207260 183.2
[M+HCOO]- 425.208201 208.2
[M+CH3COO]- 439.223851 202.2
[M+Na-2H]- 401.184666 193.3
[M]+ 380.20945142 194.6
[M]- 380.21054858 194.6
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.