CID 11269568

Schembl12167642

Structural Information

Molecular Formula
C19H16N2O6S
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)OC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C19H16N2O6S/c1-26-16-10-12-19(13-11-16)28(24,25)20-14-2-6-17(7-3-14)27-18-8-4-15(5-9-18)21(22)23/h2-13,20H,1H3
InChIKey
ZDQQEYYNPVCWTG-UHFFFAOYSA-N
Compound name
4-methoxy-N-[4-(4-nitrophenoxy)phenyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

400.0729 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.08018 189.3
[M+Na]+ 423.06212 194.2
[M-H]- 399.06562 198.9
[M+NH4]+ 418.10672 198.3
[M+K]+ 439.03606 185.9
[M+H-H2O]+ 383.07016 183.6
[M+HCOO]- 445.07110 209.2
[M+CH3COO]- 459.08675 213.6
[M+Na-2H]- 421.04757 196.6
[M]+ 400.07235 191.4
[M]- 400.07345 191.4
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

patents stripe