CID 980755

329079-23-4

Structural Information

Molecular Formula
C20H24ClNOS
SMILES
CC1=C(C(=C(C(=C1C)C)CSCC(=O)NC2=CC(=CC=C2)Cl)C)C
InChI
InChI=1S/C20H24ClNOS/c1-12-13(2)15(4)19(16(5)14(12)3)10-24-11-20(23)22-18-8-6-7-17(21)9-18/h6-9H,10-11H2,1-5H3,(H,22,23)
InChIKey
DRCCMCYBEMCKLT-UHFFFAOYSA-N
Compound name
N-(3-chlorophenyl)-2-[(2,3,4,5,6-pentamethylphenyl)methylsulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.1267 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.13398 184.1
[M+Na]+ 384.11592 193.4
[M-H]- 360.11942 191.5
[M+NH4]+ 379.16052 199.2
[M+K]+ 400.08986 186.1
[M+H-H2O]+ 344.12396 177.5
[M+HCOO]- 406.12490 197.0
[M+CH3COO]- 420.14055 220.5
[M+Na-2H]- 382.10137 181.0
[M]+ 361.12615 191.4
[M]- 361.12725 191.4
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.