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

9
Patents

398.2028 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.210076 195.1
[M+Na]+ 421.192018 198.1
[M-H]- 397.195524 200.4
[M+NH4]+ 416.236623 204.1
[M+K]+ 437.165958 192.0
[M+H-H2O]+ 381.200060 183.7
[M+HCOO]- 443.201001 203.3
[M+CH3COO]- 457.216651 201.8
[M+Na-2H]- 419.177466 194.7
[M]+ 398.20225142 193.3
[M]- 398.20334858 193.3
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