CID 135408675

Nsc58051

Structural Information

Molecular Formula
C24H21N5O5
SMILES
COC1=CC=C(C=C1)N=NC2=CC(=C(C=C2OC)N=NC3=C(C4=CC=CC=C4NC3=O)O)OC
InChI
InChI=1S/C24H21N5O5/c1-32-15-10-8-14(9-11-15)26-27-18-12-21(34-3)19(13-20(18)33-2)28-29-22-23(30)16-6-4-5-7-17(16)25-24(22)31/h4-13H,1-3H3,(H2,25,30,31)
InChIKey
RZIWRBCYBFOBKP-UHFFFAOYSA-N
Compound name
3-[[2,5-dimethoxy-4-[(4-methoxyphenyl)diazenyl]phenyl]diazenyl]-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.15427 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16155 207.9
[M+Na]+ 482.14349 215.9
[M-H]- 458.14699 220.5
[M+NH4]+ 477.18809 215.8
[M+K]+ 498.11743 212.6
[M+H-H2O]+ 442.15153 194.6
[M+HCOO]- 504.15247 236.1
[M+CH3COO]- 518.16812 249.4
[M+Na-2H]- 480.12894 214.7
[M]+ 459.15372 214.9
[M]- 459.15482 214.9
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.