CID 736915

N-[4-(chloromethyl)-1,3-thiazol-2-yl]-n-(4-methylphenyl)acetamide

Structural Information

Molecular Formula
C13H13ClN2OS
SMILES
CC1=CC=C(C=C1)N(C2=NC(=CS2)CCl)C(=O)C
InChI
InChI=1S/C13H13ClN2OS/c1-9-3-5-12(6-4-9)16(10(2)17)13-15-11(7-14)8-18-13/h3-6,8H,7H2,1-2H3
InChIKey
HXAJBOJONYEPHY-UHFFFAOYSA-N
Compound name
N-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

280.0437 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.05098 162.1
[M+Na]+ 303.03292 171.4
[M-H]- 279.03642 169.7
[M+NH4]+ 298.07752 180.7
[M+K]+ 319.00686 167.0
[M+H-H2O]+ 263.04096 155.3
[M+HCOO]- 325.04190 177.5
[M+CH3COO]- 339.05755 200.8
[M+Na-2H]- 301.01837 161.9
[M]+ 280.04315 167.9
[M]- 280.04425 167.9
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

patents stripe