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 199.8
[M+Na]+ 464.13628 201.8
[M-H]- 440.13978 208.0
[M+NH4]+ 459.18088 206.2
[M+K]+ 480.11022 197.2
[M+H-H2O]+ 424.14432 188.8
[M+HCOO]- 486.14526 217.3
[M+CH3COO]- 500.16091 236.1
[M+Na-2H]- 462.12173 204.0
[M]+ 441.14651 198.4
[M]- 441.14761 198.4
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.