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 197.4
[M+Na]+ 457.08785 204.5
[M-H]- 433.09135 199.4
[M+NH4]+ 452.13245 207.8
[M+K]+ 473.06179 195.0
[M+H-H2O]+ 417.09589 189.1
[M+HCOO]- 479.09683 194.7
[M+CH3COO]- 493.11248 203.9
[M+Na-2H]- 455.07330 196.3
[M]+ 434.09808 198.5
[M]- 434.09918 198.5
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

No patent data available for this compound.