CID 135422245

Nsc 65840

Structural Information

Molecular Formula
C32H27N5O7
SMILES
COC1=CC(=C(C=C1)OC)N=NC2=CC(=C(C=C2CC3=CC=CC=C3C(=O)O)N=NC4=C(C5=CC=CC=C5NC4=O)O)OC
InChI
InChI=1S/C32H27N5O7/c1-42-20-12-13-27(43-2)26(16-20)35-34-24-17-28(44-3)25(15-19(24)14-18-8-4-5-9-21(18)32(40)41)36-37-29-30(38)22-10-6-7-11-23(22)33-31(29)39/h4-13,15-17H,14H2,1-3H3,(H,40,41)(H2,33,38,39)
InChIKey
KXSHAHXSXGJWAQ-UHFFFAOYSA-N
Compound name
2-[[2-[(2,5-dimethoxyphenyl)diazenyl]-5-[(4-hydroxy-2-oxo-1H-quinolin-3-yl)diazenyl]-4-methoxyphenyl]methyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

593.19104 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 594.19832 241.8
[M+Na]+ 616.18026 247.0
[M-H]- 592.18376 255.4
[M+NH4]+ 611.22486 242.4
[M+K]+ 632.15420 244.4
[M+H-H2O]+ 576.18830 226.3
[M+HCOO]- 638.18924 265.5
[M+CH3COO]- 652.20489 274.0
[M+Na-2H]- 614.16571 244.7
[M]+ 593.19049 248.7
[M]- 593.19159 248.7
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.