CID 875299

6170-53-2

Structural Information

Molecular Formula
C19H23NOS
SMILES
CC1=CC=CC=C1CSCC(=O)NC2=CC=C(C=C2)C(C)C
InChI
InChI=1S/C19H23NOS/c1-14(2)16-8-10-18(11-9-16)20-19(21)13-22-12-17-7-5-4-6-15(17)3/h4-11,14H,12-13H2,1-3H3,(H,20,21)
InChIKey
JWMCICFZTFREHC-UHFFFAOYSA-N
Compound name
2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.15002 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.157296 175.2
[M+Na]+ 336.139238 180.5
[M-H]- 312.142744 181.4
[M+NH4]+ 331.183843 190.0
[M+K]+ 352.113178 175.3
[M+H-H2O]+ 296.147280 167.1
[M+HCOO]- 358.148221 192.0
[M+CH3COO]- 372.163871 210.0
[M+Na-2H]- 334.124686 174.5
[M]+ 313.14947142 177.7
[M]- 313.15056858 177.7
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.