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 171.9
[M+Na]+ 308.08282 183.0
[M-H]- 284.08632 177.3
[M+NH4]+ 303.12742 187.2
[M+K]+ 324.05676 177.8
[M+H-H2O]+ 268.09086 157.9
[M+HCOO]- 330.09180 186.9
[M+CH3COO]- 344.10745 213.2
[M+Na-2H]- 306.06827 170.1
[M]+ 285.09305 170.1
[M]- 285.09415 170.1
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.