CID 66267

Amidapsone

Structural Information

Molecular Formula
C13H13N3O3S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NC(=O)N
InChI
InChI=1S/C13H13N3O3S/c14-9-1-5-11(6-2-9)20(18,19)12-7-3-10(4-8-12)16-13(15)17/h1-8H,14H2,(H3,15,16,17)
InChIKey
UPWPBIUUSLIWAI-UHFFFAOYSA-N
Compound name
[4-(4-aminophenyl)sulfonylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

416
Patents

291.06775 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.07503 163.0
[M+Na]+ 314.05697 172.6
[M+NH4]+ 309.10157 169.2
[M+K]+ 330.03091 166.7
[M-H]- 290.06047 166.5
[M+Na-2H]- 312.04242 169.9
[M]+ 291.06720 165.5
[M]- 291.06830 165.5
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