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]+ 301.136916 170.6
[M+Na]+ 323.118858 174.7
[M-H]- 299.122364 175.1
[M+NH4]+ 318.163463 183.9
[M+K]+ 339.092798 170.3
[M+H-H2O]+ 283.126900 161.8
[M+HCOO]- 345.127841 185.9
[M+CH3COO]- 359.143491 205.2
[M+Na-2H]- 321.104306 171.5
[M]+ 300.12909142 171.5
[M]- 300.13018858 171.5
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.