CID 3060098

Brn 5132549

Structural Information

Molecular Formula
C22H19NO3S
SMILES
CC(=O)OC1=CC=CC=C1C(=O)N(C)C2=CC=C(C=C2)SC3=CC=CC=C3
InChI
InChI=1S/C22H19NO3S/c1-16(24)26-21-11-7-6-10-20(21)22(25)23(2)17-12-14-19(15-13-17)27-18-8-4-3-5-9-18/h3-15H,1-2H3
InChIKey
MSDJXHROWFTINH-UHFFFAOYSA-N
Compound name
[2-[methyl-(4-phenylsulfanylphenyl)carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.10855 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.11583 186.9
[M+Na]+ 400.09777 201.2
[M+NH4]+ 395.14237 195.0
[M+K]+ 416.07171 191.5
[M-H]- 376.10127 194.0
[M+Na-2H]- 398.08322 197.7
[M]+ 377.10800 191.6
[M]- 377.10910 191.6
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.