CID 443036

Thenylchlor

Structural Information

Molecular Formula
C16H18ClNO2S
SMILES
CC1=C(C(=CC=C1)C)N(CC2=C(C=CS2)OC)C(=O)CCl
InChI
InChI=1S/C16H18ClNO2S/c1-11-5-4-6-12(2)16(11)18(15(19)9-17)10-14-13(20-3)7-8-21-14/h4-8H,9-10H2,1-3H3
InChIKey
KDWQYMVPYJGPHS-UHFFFAOYSA-N
Compound name
2-chloro-N-(2,6-dimethylphenyl)-N-[(3-methoxythiophen-2-yl)methyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

16007
Patents

323.07468 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.08196 174.7
[M+Na]+ 346.06390 187.1
[M+NH4]+ 341.10850 183.4
[M+K]+ 362.03784 179.5
[M-H]- 322.06740 179.2
[M+Na-2H]- 344.04935 181.1
[M]+ 323.07413 178.5
[M]- 323.07523 178.5
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

patents stripe