CID 166405

Dtxsid70888372

Structural Information

Molecular Formula
C23H20N4O3
SMILES
CC1=C(C(=O)NC(=C1C#N)O)N=NC2=CC=C(C=C2)C(=O)C3=CC=C(C=C3)C(C)C
InChI
InChI=1S/C23H20N4O3/c1-13(2)15-4-6-16(7-5-15)21(28)17-8-10-18(11-9-17)26-27-20-14(3)19(12-24)22(29)25-23(20)30/h4-11,13H,1-3H3,(H2,25,29,30)
InChIKey
RWKZJPHHITZEIU-UHFFFAOYSA-N
Compound name
2-hydroxy-4-methyl-6-oxo-5-[[4-(4-propan-2-ylbenzoyl)phenyl]diazenyl]-1H-pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.15353 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.16081 204.5
[M+Na]+ 423.14275 213.5
[M-H]- 399.14625 210.8
[M+NH4]+ 418.18735 211.8
[M+K]+ 439.11669 206.9
[M+H-H2O]+ 383.15079 187.4
[M+HCOO]- 445.15173 222.3
[M+CH3COO]- 459.16738 238.3
[M+Na-2H]- 421.12820 203.1
[M]+ 400.15298 200.1
[M]- 400.15408 200.1
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.