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]+ 333.090346 174.3
[M+Na]+ 355.072288 179.5
[M-H]- 331.075794 180.9
[M+NH4]+ 350.116893 187.1
[M+K]+ 371.046228 171.3
[M+H-H2O]+ 315.080330 170.2
[M+HCOO]- 377.081271 194.1
[M+CH3COO]- 391.096921 204.7
[M+Na-2H]- 353.057736 177.4
[M]+ 332.08252142 176.1
[M]- 332.08361858 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.