CID 3073929

153804-53-6

Structural Information

Molecular Formula
C22H28N2OS
SMILES
C1CC2=C(C(=CC=C2)OCCCN3CCN(CC3)C4=CC=CC=C4)SC1
InChI
InChI=1S/C22H28N2OS/c1-2-9-20(10-3-1)24-15-13-23(14-16-24)12-6-17-25-21-11-4-7-19-8-5-18-26-22(19)21/h1-4,7,9-11H,5-6,8,12-18H2
InChIKey
CHNULUFNAXCTTN-UHFFFAOYSA-N
Compound name
1-[3-(3,4-dihydro-2H-thiochromen-8-yloxy)propyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

368.19223 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.19951 186.9
[M+Na]+ 391.18145 189.7
[M-H]- 367.18495 192.1
[M+NH4]+ 386.22605 196.9
[M+K]+ 407.15539 183.1
[M+H-H2O]+ 351.18949 175.7
[M+HCOO]- 413.19043 195.3
[M+CH3COO]- 427.20608 193.9
[M+Na-2H]- 389.16690 187.5
[M]+ 368.19168 182.9
[M]- 368.19278 182.9
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