CID 3388856

5-amino-n-(4-iodophenyl)-2-methylbenzene-1-sulfonamide

Structural Information

Molecular Formula
C13H13IN2O2S
SMILES
CC1=C(C=C(C=C1)N)S(=O)(=O)NC2=CC=C(C=C2)I
InChI
InChI=1S/C13H13IN2O2S/c1-9-2-5-11(15)8-13(9)19(17,18)16-12-6-3-10(14)4-7-12/h2-8,16H,15H2,1H3
InChIKey
OFXIXSNOPUZXRP-UHFFFAOYSA-N
Compound name
5-amino-N-(4-iodophenyl)-2-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.97424 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.98152 179.6
[M+Na]+ 410.96346 183.8
[M+NH4]+ 406.00806 182.7
[M+K]+ 426.93740 178.8
[M-H]- 386.96696 177.5
[M+Na-2H]- 408.94891 173.9
[M]+ 387.97369 179.0
[M]- 387.97479 179.0
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.