CID 9588921

160857-57-8

Structural Information

Molecular Formula
C22H25N5O4S
SMILES
CC1=CC=C(C=C1)/C=N/NC(=O)C2=CCN(CC2)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C
InChI
InChI=1S/C22H25N5O4S/c1-16-3-5-18(6-4-16)15-23-25-22(29)19-11-13-27(14-12-19)26-32(30,31)21-9-7-20(8-10-21)24-17(2)28/h3-11,15,26H,12-14H2,1-2H3,(H,24,28)(H,25,29)/b23-15+
InChIKey
DCIJIUAUBXLGLX-HZHRSRAPSA-N
Compound name
1-[(4-acetamidophenyl)sulfonylamino]-N-[(E)-(4-methylphenyl)methylideneamino]-3,6-dihydro-2H-pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

455.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.17000 205.0
[M+Na]+ 478.15194 207.4
[M-H]- 454.15544 213.4
[M+NH4]+ 473.19654 211.1
[M+K]+ 494.12588 202.7
[M+H-H2O]+ 438.15998 194.0
[M+HCOO]- 500.16092 222.1
[M+CH3COO]- 514.17657 240.4
[M+Na-2H]- 476.13739 208.0
[M]+ 455.16217 204.3
[M]- 455.16327 204.3
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.