CID 3047990

N 772

Structural Information

Molecular Formula
C22H24Cl2N2OS
SMILES
C1CN(CCN1CCC=C2C3=C(C=CC(=C3)Cl)SC4=C2C=C(C=C4)Cl)CCO
InChI
InChI=1S/C22H24Cl2N2OS/c23-16-3-5-21-19(14-16)18(20-15-17(24)4-6-22(20)28-21)2-1-7-25-8-10-26(11-9-25)12-13-27/h2-6,14-15,27H,1,7-13H2
InChIKey
RAJUGNAZAFFVLO-UHFFFAOYSA-N
Compound name
2-[4-[3-(2,7-dichlorothioxanthen-9-ylidene)propyl]piperazin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

434.09863 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10591 200.3
[M+Na]+ 457.08785 216.1
[M+NH4]+ 452.13245 209.6
[M+K]+ 473.06179 202.8
[M-H]- 433.09135 205.0
[M+Na-2H]- 455.07330 205.5
[M]+ 434.09808 205.1
[M]- 434.09918 205.1
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.