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 170.8
[M+Na]+ 339.03292 182.1
[M-H]- 315.03642 179.4
[M+NH4]+ 334.07752 189.0
[M+K]+ 355.00686 175.3
[M+H-H2O]+ 299.04096 163.7
[M+HCOO]- 361.04190 187.8
[M+CH3COO]- 375.05755 183.6
[M+Na-2H]- 337.01837 174.1
[M]+ 316.04315 177.9
[M]- 316.04425 177.9
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.