CID 988271

303093-71-2

Structural Information

Molecular Formula
C19H17ClN2O2S
SMILES
CC1=CC(=CC=C1)CC2=CN=C(S2)NC(=O)COC3=CC=C(C=C3)Cl
InChI
InChI=1S/C19H17ClN2O2S/c1-13-3-2-4-14(9-13)10-17-11-21-19(25-17)22-18(23)12-24-16-7-5-15(20)6-8-16/h2-9,11H,10,12H2,1H3,(H,21,22,23)
InChIKey
JGXKBZFUJNBRIT-UHFFFAOYSA-N
Compound name
2-(4-chlorophenoxy)-N-[5-[(3-methylphenyl)methyl]-1,3-thiazol-2-yl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.06992 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.07720 186.2
[M+Na]+ 395.05914 194.9
[M-H]- 371.06264 195.3
[M+NH4]+ 390.10374 200.1
[M+K]+ 411.03308 188.0
[M+H-H2O]+ 355.06718 178.1
[M+HCOO]- 417.06812 200.9
[M+CH3COO]- 431.08377 197.0
[M+Na-2H]- 393.04459 185.7
[M]+ 372.06937 192.3
[M]- 372.07047 192.3
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.