CID 16078290

2-(4-hydroxyphenyl)-3-methyl-6-(4-chlorophenyl)-1piperidin-4-thiosemicarbazone

Structural Information

Molecular Formula
C19H20ClN4O2S
SMILES
C1C(C(C(NC1C2=CC=C(C=C2)Cl)C3=CC=C(C=C3)O)/C=N/NC(=O)N)[S]
InChI
InChI=1S/C19H20ClN4O2S/c20-13-5-1-11(2-6-13)16-9-17(27)15(10-22-24-19(21)26)18(23-16)12-3-7-14(25)8-4-12/h1-8,10,15-18,23,25H,9H2,(H3,21,24,26)/b22-10+
InChIKey
SUVUZZLEJMJBHW-LSHDLFTRSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

403.09955 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10683 192.3
[M+Na]+ 426.08877 197.5
[M-H]- 402.09227 198.3
[M+NH4]+ 421.13337 201.3
[M+K]+ 442.06271 189.4
[M+H-H2O]+ 386.09681 184.0
[M+HCOO]- 448.09775 201.8
[M+CH3COO]- 462.11340 224.6
[M+Na-2H]- 424.07422 190.9
[M]+ 403.09900 189.4
[M]- 403.10010 189.4
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.