CID 2936384

443292-81-7

Structural Information

Molecular Formula
C27H30N2O2S
SMILES
CCOC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O
InChI
InChI=1S/C27H30N2O2S/c1-2-31-25-15-13-24(14-16-25)28-26(32)29-19-17-23(18-20-29)27(30,21-9-5-3-6-10-21)22-11-7-4-8-12-22/h3-16,23,30H,2,17-20H2,1H3,(H,28,32)
InChIKey
PMEQBGAGFZDWQX-UHFFFAOYSA-N
Compound name
N-(4-ethoxyphenyl)-4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

1
Patents

446.2028 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.21008 207.6
[M+Na]+ 469.19202 220.6
[M+NH4]+ 464.23662 215.1
[M+K]+ 485.16596 210.1
[M-H]- 445.19552 215.5
[M+Na-2H]- 467.17747 218.3
[M]+ 446.20225 212.3
[M]- 446.20335 212.3
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

patents stripe