CID 23230

Diformyldapsone

Structural Information

Molecular Formula

C₁₄H₁₂N₂O₄S

SMILES

C1=CC(=CC=C1NC=O)S(=O)(=O)C2=CC=C(C=C2)NC=O

InChI

InChI=1S/C14H12N2O4S/c17-9-15-11-1-5-13(6-2-11)21(19,20)14-7-3-12(4-8-14)16-10-18/h1-10H,(H,15,17)(H,16,18)

InChIKey

NOWADDNUCMOPLH-UHFFFAOYSA-N

Compound name

N-[4-(4-formamidophenyl)sulfonylphenyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 40
Patents: 304.0518 Da
Monoisotopic Mass: 0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	305.05908	166.6
[M+Na]+	327.04102	177.8
[M+NH4]+	322.08562	172.7
[M+K]+	343.01496	170.2
[M-H]-	303.04452	169.7
[M+Na-2H]-	325.02647	174.2
[M]+	304.05125	169.3
[M]-	304.05235	169.3

Literature stripe

literature stripe

Patent stripe

patents stripe