CID 4103852

477334-07-9

Structural Information

Molecular Formula
C21H26ClNOS
SMILES
CC1=C(C=C(C=C1)NC(=O)CSCC2=C(C(=C(C(=C2C)C)C)C)C)Cl
InChI
InChI=1S/C21H26ClNOS/c1-12-7-8-18(9-20(12)22)23-21(24)11-25-10-19-16(5)14(3)13(2)15(4)17(19)6/h7-9H,10-11H2,1-6H3,(H,23,24)
InChIKey
WFRWVEPURPEZJG-UHFFFAOYSA-N
Compound name
N-(3-chloro-4-methylphenyl)-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.14236 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14964 193.3
[M+Na]+ 398.13158 208.5
[M+NH4]+ 393.17618 201.8
[M+K]+ 414.10552 197.0
[M-H]- 374.13508 199.0
[M+Na-2H]- 396.11703 199.6
[M]+ 375.14181 198.1
[M]- 375.14291 198.1
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.