CID 135429824

Nsc78676

Structural Information

Molecular Formula
C23H19N5O4
SMILES
COC1=CC(=C(C=C1N=NC2=CC=CC=C2)OC)N=NC3=C(C4=CC=CC=C4NC3=O)O
InChI
InChI=1S/C23H19N5O4/c1-31-19-13-18(20(32-2)12-17(19)26-25-14-8-4-3-5-9-14)27-28-21-22(29)15-10-6-7-11-16(15)24-23(21)30/h3-13H,1-2H3,(H2,24,29,30)
InChIKey
DHQPPOYLOLLOCW-UHFFFAOYSA-N
Compound name
3-[(2,5-dimethoxy-4-phenyldiazenylphenyl)diazenyl]-4-hydroxy-1H-quinolin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

429.1437 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.15098 199.9
[M+Na]+ 452.13292 207.9
[M-H]- 428.13642 212.4
[M+NH4]+ 447.17752 208.9
[M+K]+ 468.10686 203.8
[M+H-H2O]+ 412.14096 186.9
[M+HCOO]- 474.14190 228.5
[M+CH3COO]- 488.15755 242.8
[M+Na-2H]- 450.11837 207.8
[M]+ 429.14315 204.9
[M]- 429.14425 204.9
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.