CID 204308

Piperidine, 4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)-, hydrochloride

Structural Information

Molecular Formula
C27H27NS
SMILES
C1CN(CCC1C2=CC=CC=C2)CCC=C3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C27H27NS/c1-2-9-21(10-3-1)22-16-19-28(20-17-22)18-8-13-23-24-11-4-6-14-26(24)29-27-15-7-5-12-25(23)27/h1-7,9-15,22H,8,16-20H2
InChIKey
LVSQQPZPGQTMPQ-UHFFFAOYSA-N
Compound name
4-phenyl-1-(3-thioxanthen-9-ylidenepropyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.18643 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.19371 194.8
[M+Na]+ 420.17565 199.1
[M-H]- 396.17915 202.2
[M+NH4]+ 415.22025 206.0
[M+K]+ 436.14959 189.9
[M+H-H2O]+ 380.18369 183.6
[M+HCOO]- 442.18463 203.9
[M+CH3COO]- 456.20028 201.9
[M+Na-2H]- 418.16110 196.0
[M]+ 397.18588 190.1
[M]- 397.18698 190.1
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.