CID 9588922

160857-58-9

Structural Information

Molecular Formula
C21H23N5O4S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C(=O)N/N=C/C3=CC=CC=C3
InChI
InChI=1S/C21H23N5O4S/c1-16(27)23-19-7-9-20(10-8-19)31(29,30)25-26-13-11-18(12-14-26)21(28)24-22-15-17-5-3-2-4-6-17/h2-11,15,25H,12-14H2,1H3,(H,23,27)(H,24,28)/b22-15+
InChIKey
HRNCNRGUEYERCC-PXLXIMEGSA-N
Compound name
1-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-benzylideneamino]-3,6-dihydro-2H-pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

441.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 442.15434 198.1
[M+Na]+ 464.13628 206.0
[M+NH4]+ 459.18088 202.1
[M+K]+ 480.11022 199.6
[M-H]- 440.13978 202.9
[M+Na-2H]- 462.12173 206.0
[M]+ 441.14651 200.4
[M]- 441.14761 200.4
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.