CID 4404983

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

Structural Information

Molecular Formula
C14H13N3OS
SMILES
CCC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)CC#N
InChI
InChI=1S/C14H13N3OS/c1-2-10-3-5-11(6-4-10)12-9-19-14(16-12)17-13(18)7-8-15/h3-6,9H,2,7H2,1H3,(H,16,17,18)
InChIKey
PUGUZEMBITVCIG-UHFFFAOYSA-N
Compound name
2-cyano-N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.07794 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.08522 159.1
[M+Na]+ 294.06716 170.1
[M+NH4]+ 289.11176 163.5
[M+K]+ 310.04110 160.3
[M-H]- 270.07066 155.1
[M+Na-2H]- 292.05261 163.2
[M]+ 271.07739 159.0
[M]- 271.07849 159.0
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.