CID 211225

22708-26-5

Structural Information

Molecular Formula
C17H19NO4S
SMILES
COC1=CC(=CC(=C1OC)OC)C(=O)NC2=CC=C(C=C2)SC
InChI
InChI=1S/C17H19NO4S/c1-20-14-9-11(10-15(21-2)16(14)22-3)17(19)18-12-5-7-13(23-4)8-6-12/h5-10H,1-4H3,(H,18,19)
InChIKey
BKDBIIUAZKBQOZ-UHFFFAOYSA-N
Compound name
3,4,5-trimethoxy-N-(4-methylsulfanylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.1035 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11078 176.0
[M+Na]+ 356.09272 183.5
[M-H]- 332.09622 183.1
[M+NH4]+ 351.13732 190.3
[M+K]+ 372.06666 180.2
[M+H-H2O]+ 316.10076 167.7
[M+HCOO]- 378.10170 195.1
[M+CH3COO]- 392.11735 211.9
[M+Na-2H]- 354.07817 176.5
[M]+ 333.10295 183.4
[M]- 333.10405 183.4
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.