CID 135429812

6300-34-1

Structural Information

Molecular Formula
C18H16N4O3
SMILES
CN(C)C(=O)C1=CC=C(C=C1)N=NC2=C(C3=CC=CC=C3NC2=O)O
InChI
InChI=1S/C18H16N4O3/c1-22(2)18(25)11-7-9-12(10-8-11)20-21-15-16(23)13-5-3-4-6-14(13)19-17(15)24/h3-10H,1-2H3,(H2,19,23,24)
InChIKey
SPTQSDYRXKGNOC-UHFFFAOYSA-N
Compound name
4-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]-N,N-dimethylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

336.12225 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.129526 176.3
[M+Na]+ 359.111468 183.9
[M-H]- 335.114974 184.5
[M+NH4]+ 354.156073 189.2
[M+K]+ 375.085408 180.5
[M+H-H2O]+ 319.119510 166.4
[M+HCOO]- 381.120451 201.3
[M+CH3COO]- 395.136101 221.4
[M+Na-2H]- 357.096916 182.4
[M]+ 336.12170142 178.1
[M]- 336.12279858 178.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.