CID 3764707

2-cyano-n-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide

Structural Information

Molecular Formula
C15H15N3OS
SMILES
CC1=CC(=C(C=C1C)C2=CSC(=N2)NC(=O)CC#N)C
InChI
InChI=1S/C15H15N3OS/c1-9-6-11(3)12(7-10(9)2)13-8-20-15(17-13)18-14(19)4-5-16/h6-8H,4H2,1-3H3,(H,17,18,19)
InChIKey
NWUVZUGPKNSVGU-UHFFFAOYSA-N
Compound name
2-cyano-N-[4-(2,4,5-trimethylphenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.0936 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10088 161.8
[M+Na]+ 308.08282 173.3
[M+NH4]+ 303.12742 166.1
[M+K]+ 324.05676 163.8
[M-H]- 284.08632 157.9
[M+Na-2H]- 306.06827 165.4
[M]+ 285.09305 161.9
[M]- 285.09415 161.9
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.