CID 103622

52338-25-7

Structural Information

Molecular Formula
C22H27N5O3
SMILES
CCCCC(CC)CNC(=O)C1=CC=C(C=C1)N=NC2=C(C(=C(NC2=O)O)C#N)C
InChI
InChI=1S/C22H27N5O3/c1-4-6-7-15(5-2)13-24-20(28)16-8-10-17(11-9-16)26-27-19-14(3)18(12-23)21(29)25-22(19)30/h8-11,15H,4-7,13H2,1-3H3,(H,24,28)(H2,25,29,30)
InChIKey
WOGOSVOOLGCMFX-UHFFFAOYSA-N
Compound name
4-[(5-cyano-6-hydroxy-4-methyl-2-oxo-1H-pyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.2114 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.21868 202.3
[M+Na]+ 432.20062 211.4
[M+NH4]+ 427.24522 202.7
[M+K]+ 448.17456 202.2
[M-H]- 408.20412 197.7
[M+Na-2H]- 430.18607 203.6
[M]+ 409.21085 201.0
[M]- 409.21195 201.0
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.