CID 214298

28030-62-8

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CC(CC1=CC=CC=C1)N(CCO)C(=S)C2=CN=CC=C2
InChI
InChI=1S/C17H20N2OS/c1-14(12-15-6-3-2-4-7-15)19(10-11-20)17(21)16-8-5-9-18-13-16/h2-9,13-14,20H,10-12H2,1H3
InChIKey
UEILSTGTVLYNOE-UHFFFAOYSA-N
Compound name
N-(2-hydroxyethyl)-N-(1-phenylpropan-2-yl)pyridine-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12964 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 169.4
[M+Na]+ 323.11886 181.1
[M+NH4]+ 318.16346 177.3
[M+K]+ 339.09280 172.3
[M-H]- 299.12236 173.6
[M+Na-2H]- 321.10431 177.5
[M]+ 300.12909 172.7
[M]- 300.13019 172.7
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.