CID 3073916

Piperazine, 1-(3-((3,4-dihydro-2h-1-benzothiopyran-8-yl)oxy)propyl)-4-(2-methoxyphenyl)-

Structural Information

Molecular Formula
C23H30N2O2S
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCCOC3=CC=CC4=C3SCCC4
InChI
InChI=1S/C23H30N2O2S/c1-26-21-10-3-2-9-20(21)25-15-13-24(14-16-25)12-6-17-27-22-11-4-7-19-8-5-18-28-23(19)22/h2-4,7,9-11H,5-6,8,12-18H2,1H3
InChIKey
IIDQAUDJPORNBW-UHFFFAOYSA-N
Compound name
1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

398.2028 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21008 195.1
[M+Na]+ 421.19202 208.8
[M+NH4]+ 416.23662 204.0
[M+K]+ 437.16596 197.2
[M-H]- 397.19552 201.6
[M+Na-2H]- 419.17747 202.8
[M]+ 398.20225 199.5
[M]- 398.20335 199.5
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