CID 4155504

N-(4-methoxy-2-nitrophenyl)-2-[(4-methylphenyl)sulfanyl]acetamide

Structural Information

Molecular Formula
C16H16N2O4S
SMILES
CC1=CC=C(C=C1)SCC(=O)NC2=C(C=C(C=C2)OC)[N+](=O)[O-]
InChI
InChI=1S/C16H16N2O4S/c1-11-3-6-13(7-4-11)23-10-16(19)17-14-8-5-12(22-2)9-15(14)18(20)21/h3-9H,10H2,1-2H3,(H,17,19)
InChIKey
GPRZCAKENTWQCT-UHFFFAOYSA-N
Compound name
N-(4-methoxy-2-nitrophenyl)-2-(4-methylphenyl)sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.08307 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.09035 172.3
[M+Na]+ 355.07229 185.1
[M+NH4]+ 350.11689 179.5
[M+K]+ 371.04623 179.3
[M-H]- 331.07579 177.7
[M+Na-2H]- 353.05774 179.5
[M]+ 332.08252 175.9
[M]- 332.08362 175.9
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.