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]+ 305.131816 171.5
[M+Na]+ 327.113758 178.8
[M-H]- 303.117264 176.0
[M+NH4]+ 322.158363 186.9
[M+K]+ 343.087698 173.7
[M+H-H2O]+ 287.121800 164.0
[M+HCOO]- 349.122741 188.7
[M+CH3COO]- 363.138391 203.5
[M+Na-2H]- 325.099206 170.0
[M]+ 304.12399142 175.0
[M]- 304.12508858 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.