CID 6436893

Thioxanthene, 2-chloro-9-(3-(4-methylpiperazinyl)propylidene)-, dihydrochloride

Structural Information

Molecular Formula
C21H23ClN2S
SMILES
C1CN(CCN1)CCC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C21H23ClN2S/c22-16-8-9-21-19(15-16)17(18-6-1-2-7-20(18)25-21)5-3-4-12-24-13-10-23-11-14-24/h1-2,5-9,15,23H,3-4,10-14H2/b17-5+
InChIKey
GFAPUYYPOAKJND-YAXRCOADSA-N
Compound name
1-[(4E)-4-(2-chlorothioxanthen-9-ylidene)butyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.12704 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.13432 184.1
[M+Na]+ 393.11626 190.1
[M-H]- 369.11976 186.3
[M+NH4]+ 388.16086 196.2
[M+K]+ 409.09020 180.4
[M+H-H2O]+ 353.12430 175.2
[M+HCOO]- 415.12524 186.6
[M+CH3COO]- 429.14089 191.3
[M+Na-2H]- 391.10171 185.4
[M]+ 370.12649 181.4
[M]- 370.12759 181.4
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.