CID 4463910

3-amino-n-(4-iodophenyl)-4-methoxybenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13IN2O3S
SMILES
COC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)I)N
InChI
InChI=1S/C13H13IN2O3S/c1-19-13-7-6-11(8-12(13)15)20(17,18)16-10-4-2-9(14)3-5-10/h2-8,16H,15H2,1H3
InChIKey
YRAPMRASARDBGW-UHFFFAOYSA-N
Compound name
3-amino-N-(4-iodophenyl)-4-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.96915 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.97643 182.8
[M+Na]+ 426.95837 183.7
[M-H]- 402.96187 182.1
[M+NH4]+ 422.00297 192.8
[M+K]+ 442.93231 185.0
[M+H-H2O]+ 386.96641 171.2
[M+HCOO]- 448.96735 197.2
[M+CH3COO]- 462.98300 210.8
[M+Na-2H]- 424.94382 174.0
[M]+ 403.96860 181.6
[M]- 403.96970 181.6
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.