CID 3050126

4-hydroxy-n-(2-methylphenyl)-4-phenyl-1-piperidinecarbothioamide

Structural Information

Molecular Formula
C19H22N2OS
SMILES
CC1=CC=CC=C1NC(=S)N2CCC(CC2)(C3=CC=CC=C3)O
InChI
InChI=1S/C19H22N2OS/c1-15-7-5-6-10-17(15)20-18(23)21-13-11-19(22,12-14-21)16-8-3-2-4-9-16/h2-10,22H,11-14H2,1H3,(H,20,23)
InChIKey
WQYWXYBRTAEXHP-UHFFFAOYSA-N
Compound name
4-hydroxy-N-(2-methylphenyl)-4-phenylpiperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

326.1453 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.15258 176.4
[M+Na]+ 349.13452 181.1
[M-H]- 325.13802 182.5
[M+NH4]+ 344.17912 190.1
[M+K]+ 365.10846 174.9
[M+H-H2O]+ 309.14256 167.7
[M+HCOO]- 371.14350 188.9
[M+CH3COO]- 385.15915 185.3
[M+Na-2H]- 347.11997 177.9
[M]+ 326.14475 171.8
[M]- 326.14585 171.8
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.