CID 4961625

847781-98-0

Structural Information

Molecular Formula
C16H13ClN2OS
SMILES
C1=CC=C2C(=C1)C=CC=C2CN3C=CSC3=NC(=O)CCl
InChI
InChI=1S/C16H13ClN2OS/c17-10-15(20)18-16-19(8-9-21-16)11-13-6-3-5-12-4-1-2-7-14(12)13/h1-9H,10-11H2
InChIKey
UWMDLXSQGLERIU-UHFFFAOYSA-N
Compound name
2-chloro-N-[3-(naphthalen-1-ylmethyl)-1,3-thiazol-2-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

316.0437 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.05098 169.2
[M+Na]+ 339.03292 185.1
[M+NH4]+ 334.07752 179.0
[M+K]+ 355.00686 175.2
[M-H]- 315.03642 174.8
[M+Na-2H]- 337.01837 178.5
[M]+ 316.04315 174.0
[M]- 316.04425 174.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.