CID 3017426

63470-85-9

Structural Information

Molecular Formula
C15H14N2O4S
SMILES
COCC(=O)NC1=C(C=CC(=C1)SC2=CC=CC=C2)[N+](=O)[O-]
InChI
InChI=1S/C15H14N2O4S/c1-21-10-15(18)16-13-9-12(7-8-14(13)17(19)20)22-11-5-3-2-4-6-11/h2-9H,10H2,1H3,(H,16,18)
InChIKey
LBHWUDRAIQBYHH-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-nitro-5-phenylsulfanylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

318.0674 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.074676 169.8
[M+Na]+ 341.056618 174.6
[M-H]- 317.060124 176.2
[M+NH4]+ 336.101223 182.9
[M+K]+ 357.030558 166.6
[M+H-H2O]+ 301.064660 165.7
[M+HCOO]- 363.065601 190.0
[M+CH3COO]- 377.081251 200.5
[M+Na-2H]- 339.042066 174.0
[M]+ 318.06685142 170.9
[M]- 318.06794858 170.9
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.