CID 3270857

N-(4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl)hexanamide

Structural Information

Molecular Formula
C16H20N2O2S
SMILES
CCCCCC(=O)NC1=NC(=CS1)C2=C(C=CC(=C2)C)O
InChI
InChI=1S/C16H20N2O2S/c1-3-4-5-6-15(20)18-16-17-13(10-21-16)12-9-11(2)7-8-14(12)19/h7-10,19H,3-6H2,1-2H3,(H,17,18,20)
InChIKey
DXXZQZFDFGZAFR-UHFFFAOYSA-N
Compound name
N-[4-(2-hydroxy-5-methylphenyl)-1,3-thiazol-2-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.12454 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.13182 171.5
[M+Na]+ 327.11376 178.8
[M-H]- 303.11726 176.0
[M+NH4]+ 322.15836 186.9
[M+K]+ 343.08770 173.7
[M+H-H2O]+ 287.12180 164.0
[M+HCOO]- 349.12274 188.7
[M+CH3COO]- 363.13839 203.5
[M+Na-2H]- 325.09921 170.0
[M]+ 304.12399 175.0
[M]- 304.12509 175.0
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.