CID 6437959

N 7010 (trans)

Structural Information

Molecular Formula
C21H22ClNS
SMILES
C1CCN(CC1)CC/C=C/2\C3=CC=CC=C3SC4=C2C=C(C=C4)Cl
InChI
InChI=1S/C21H22ClNS/c22-16-10-11-21-19(15-16)17(18-7-2-3-9-20(18)24-21)8-6-14-23-12-4-1-5-13-23/h2-3,7-11,15H,1,4-6,12-14H2/b17-8+
InChIKey
UONFEYAYBJCNHL-CAOOACKPSA-N
Compound name
1-[(3E)-3-(2-chlorothioxanthen-9-ylidene)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

355.11615 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.12343 180.9
[M+Na]+ 378.10537 187.3
[M-H]- 354.10887 186.0
[M+NH4]+ 373.14997 195.6
[M+K]+ 394.07931 178.6
[M+H-H2O]+ 338.11341 172.4
[M+HCOO]- 400.11435 186.2
[M+CH3COO]- 414.13000 189.5
[M+Na-2H]- 376.09082 182.4
[M]+ 355.11560 179.5
[M]- 355.11670 179.5
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

No patent data available for this compound.