CID 28361

Daxid

Structural Information

Molecular Formula
C23H29ClN2OS
SMILES
C1CN(CCN1CCCC2C3=CC=CC=C3SC4=C2C=C(C=C4)Cl)CCCO
InChI
InChI=1S/C23H29ClN2OS/c24-18-8-9-23-21(17-18)19(20-5-1-2-7-22(20)28-23)6-3-10-25-12-14-26(15-13-25)11-4-16-27/h1-2,5,7-9,17,19,27H,3-4,6,10-16H2
InChIKey
VQLAZPRVCPICCQ-UHFFFAOYSA-N
Compound name
3-[4-[3-(2-chloro-9H-thioxanthen-9-yl)propyl]piperazin-1-yl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

416.1689 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.17618 198.7
[M+Na]+ 439.15812 213.5
[M+NH4]+ 434.20272 208.2
[M+K]+ 455.13206 200.6
[M-H]- 415.16162 203.8
[M+Na-2H]- 437.14357 204.2
[M]+ 416.16835 203.2
[M]- 416.16945 203.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe