CID 3085797

N-allyl-4-((3-cyano-1-hexyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-5-pyridinyl)azo)benzamide

Structural Information

Molecular Formula
C23H31N5O3
SMILES
CCCCCCN1[C@H]([C@H]([C@@H]([C@@H](C1=O)C#N)C)N=NC2=CC=C(C=C2)C(=O)NCC=C)O
InChI
InChI=1S/C23H31N5O3/c1-4-6-7-8-14-28-22(30)19(15-24)16(3)20(23(28)31)27-26-18-11-9-17(10-12-18)21(29)25-13-5-2/h5,9-12,16,19-20,23,31H,2,4,6-8,13-14H2,1,3H3,(H,25,29)/t16-,19+,20+,23+/m1/s1
InChIKey
FZZPUHMCWIQHCP-LLPLAXKASA-N
Compound name
4-[[(2S,3S,4R,5R)-5-cyano-1-hexyl-2-hydroxy-4-methyl-6-oxopiperidin-3-yl]diazenyl]-N-prop-2-enylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.24268 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24996 203.8
[M+Na]+ 448.23190 209.0
[M-H]- 424.23540 207.8
[M+NH4]+ 443.27650 211.1
[M+K]+ 464.20584 204.2
[M+H-H2O]+ 408.23994 187.4
[M+HCOO]- 470.24088 220.4
[M+CH3COO]- 484.25653 247.7
[M+Na-2H]- 446.21735 200.7
[M]+ 425.24213 199.2
[M]- 425.24323 199.2
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.