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 168.2
[M+Na]+ 294.06716 178.3
[M-H]- 270.07066 173.0
[M+NH4]+ 289.11176 183.5
[M+K]+ 310.04110 173.1
[M+H-H2O]+ 254.07520 153.8
[M+HCOO]- 316.07614 183.6
[M+CH3COO]- 330.09179 208.4
[M+Na-2H]- 292.05261 168.1
[M]+ 271.07739 165.4
[M]- 271.07849 165.4
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.