CID 54784

81816-76-4

Structural Information

Molecular Formula
C21H26N2O3
SMILES
COC1=CC=CC=C1N2CCN(CC2)C3CC4=C(C=CC(=C4)CO)OC3
InChI
InChI=1S/C21H26N2O3/c1-25-21-5-3-2-4-19(21)23-10-8-22(9-11-23)18-13-17-12-16(14-24)6-7-20(17)26-15-18/h2-7,12,18,24H,8-11,13-15H2,1H3
InChIKey
LCYSNXAEBUXUOZ-UHFFFAOYSA-N
Compound name
[3-[4-(2-methoxyphenyl)piperazin-1-yl]-3,4-dihydro-2H-chromen-6-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.19434 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.20162 188.1
[M+Na]+ 377.18356 202.3
[M+NH4]+ 372.22816 195.8
[M+K]+ 393.15750 194.3
[M-H]- 353.18706 194.9
[M+Na-2H]- 375.16901 194.5
[M]+ 354.19379 192.1
[M]- 354.19489 192.1
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.