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 174.3
[M+Na]+ 355.07229 179.5
[M-H]- 331.07579 180.9
[M+NH4]+ 350.11689 187.1
[M+K]+ 371.04623 171.3
[M+H-H2O]+ 315.08033 170.2
[M+HCOO]- 377.08127 194.1
[M+CH3COO]- 391.09692 204.7
[M+Na-2H]- 353.05774 177.4
[M]+ 332.08252 176.1
[M]- 332.08362 176.1
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.