CID 121713

30449-81-1

Structural Information

Molecular Formula
C23H29N5O3
SMILES
CCCCC(CC)CNC(=O)C1=CC=C(C=C1)N=NC2=C(C(=C(N(C2=O)C)O)C#N)C
InChI
InChI=1S/C23H29N5O3/c1-5-7-8-16(6-2)14-25-21(29)17-9-11-18(12-10-17)26-27-20-15(3)19(13-24)22(30)28(4)23(20)31/h9-12,16,30H,5-8,14H2,1-4H3,(H,25,29)
InChIKey
KYVVXWNORDPBRH-UHFFFAOYSA-N
Compound name
4-[(5-cyano-6-hydroxy-1,4-dimethyl-2-oxopyridin-3-yl)diazenyl]-N-(2-ethylhexyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

423.22705 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.23433 205.1
[M+Na]+ 446.21627 214.9
[M+NH4]+ 441.26087 205.7
[M+K]+ 462.19021 205.4
[M-H]- 422.21977 201.0
[M+Na-2H]- 444.20172 206.6
[M]+ 423.22650 204.2
[M]- 423.22760 204.2
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.