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 190.2
[M+Na]+ 400.09777 195.5
[M-H]- 376.10127 200.8
[M+NH4]+ 395.14237 202.1
[M+K]+ 416.07171 191.4
[M+H-H2O]+ 360.10581 180.3
[M+HCOO]- 422.10675 208.5
[M+CH3COO]- 436.12240 220.9
[M+Na-2H]- 398.08322 190.3
[M]+ 377.10800 194.2
[M]- 377.10910 194.2
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.