CID 4103852

N-(3-chloro-4-methylphenyl)-2-((2,3,4,5,6-pentamethylbenzyl)thio)acetamide

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 187.9
[M+Na]+ 398.13158 197.5
[M-H]- 374.13508 195.4
[M+NH4]+ 393.17618 202.7
[M+K]+ 414.10552 190.2
[M+H-H2O]+ 358.13962 181.3
[M+HCOO]- 420.14056 200.4
[M+CH3COO]- 434.15621 224.7
[M+Na-2H]- 396.11703 183.7
[M]+ 375.14181 195.9
[M]- 375.14291 195.9
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

No patent data available for this compound.