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 170.6
[M+Na]+ 323.11886 174.7
[M-H]- 299.12236 175.1
[M+NH4]+ 318.16346 183.9
[M+K]+ 339.09280 170.3
[M+H-H2O]+ 283.12690 161.8
[M+HCOO]- 345.12784 185.9
[M+CH3COO]- 359.14349 205.2
[M+Na-2H]- 321.10431 171.5
[M]+ 300.12909 171.5
[M]- 300.13019 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.