CID 9588920

160857-56-7

Structural Information

Molecular Formula
C22H25N5O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NN2CCC(=CC2)C(=O)N/N=C/C3=CC=C(C=C3)OC
InChI
InChI=1S/C22H25N5O5S/c1-16(28)24-19-5-9-21(10-6-19)33(30,31)26-27-13-11-18(12-14-27)22(29)25-23-15-17-3-7-20(32-2)8-4-17/h3-11,15,26H,12-14H2,1-2H3,(H,24,28)(H,25,29)/b23-15+
InChIKey
VYZVTNQAPBMVGT-HZHRSRAPSA-N
Compound name
1-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-(4-methoxyphenyl)methylideneamino]-3,6-dihydro-2H-pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.15765 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.16493 205.4
[M+Na]+ 494.14687 212.9
[M+NH4]+ 489.19147 208.6
[M+K]+ 510.12081 207.1
[M-H]- 470.15037 209.7
[M+Na-2H]- 492.13232 212.4
[M]+ 471.15710 207.5
[M]- 471.15820 207.5
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.