CID 459569

P,p'-sulfonylbisnicotinanilide

Structural Information

Molecular Formula
C24H18N4O4S
SMILES
C1=CC(=CN=C1)C(=O)NC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)NC(=O)C4=CN=CC=C4
InChI
InChI=1S/C24H18N4O4S/c29-23(17-3-1-13-25-15-17)27-19-5-9-21(10-6-19)33(31,32)22-11-7-20(8-12-22)28-24(30)18-4-2-14-26-16-18/h1-16H,(H,27,29)(H,28,30)
InChIKey
XNZSKHTUKQOEDQ-UHFFFAOYSA-N
Compound name
N-[4-[4-(pyridine-3-carbonylamino)phenyl]sulfonylphenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

458.1049 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.11218 205.7
[M+Na]+ 481.09412 210.7
[M-H]- 457.09762 215.3
[M+NH4]+ 476.13872 209.5
[M+K]+ 497.06806 204.1
[M+H-H2O]+ 441.10216 193.8
[M+HCOO]- 503.10310 221.2
[M+CH3COO]- 517.11875 231.7
[M+Na-2H]- 479.07957 211.0
[M]+ 458.10435 205.9
[M]- 458.10545 205.9
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.