CID 9884264

N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide

Structural Information

Molecular Formula
C14H14N2O6S
SMILES
COC1=CC=C(C=C1)OC2=C(C=CC(=C2)[N+](=O)[O-])NS(=O)(=O)C
InChI
InChI=1S/C14H14N2O6S/c1-21-11-4-6-12(7-5-11)22-14-9-10(16(17)18)3-8-13(14)15-23(2,19)20/h3-9,15H,1-2H3
InChIKey
OBTVYILXIRNVAP-UHFFFAOYSA-N
Compound name
N-[2-(4-methoxyphenoxy)-4-nitrophenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5
Patents

338.05725 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.06453 171.6
[M+Na]+ 361.04647 177.8
[M-H]- 337.04997 178.7
[M+NH4]+ 356.09107 183.9
[M+K]+ 377.02041 170.7
[M+H-H2O]+ 321.05451 167.8
[M+HCOO]- 383.05545 192.0
[M+CH3COO]- 397.07110 202.4
[M+Na-2H]- 359.03192 178.7
[M]+ 338.05670 174.8
[M]- 338.05780 174.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe