CID 103622

Benzamide, 4-((5-cyano-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinyl)azo)-n-(2-ethylhexyl)-

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 204.0
[M+Na]+ 432.20062 210.4
[M-H]- 408.20412 207.4
[M+NH4]+ 427.24522 211.1
[M+K]+ 448.17456 205.7
[M+H-H2O]+ 392.20866 187.3
[M+HCOO]- 454.20960 222.1
[M+CH3COO]- 468.22525 242.3
[M+Na-2H]- 430.18607 202.4
[M]+ 409.21085 200.7
[M]- 409.21195 200.7
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.