CID 88597

Dtxsid4066626

Structural Information

Molecular Formula
C33H27ClN4O6
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC(=C(C=C5OC)OC)Cl)O
InChI
InChI=1S/C33H27ClN4O6/c1-42-27-14-13-20(32(40)35-21-10-5-4-6-11-21)16-26(27)37-38-30-22-12-8-7-9-19(22)15-23(31(30)39)33(41)36-25-17-24(34)28(43-2)18-29(25)44-3/h4-18,39H,1-3H3,(H,35,40)(H,36,41)
InChIKey
GFUUQWOLOCOGLJ-UHFFFAOYSA-N
Compound name
N-(5-chloro-2,4-dimethoxyphenyl)-3-hydroxy-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

610.1619 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 611.16918 246.3
[M+Na]+ 633.15112 251.2
[M-H]- 609.15462 260.5
[M+NH4]+ 628.19572 248.7
[M+K]+ 649.12506 248.0
[M+H-H2O]+ 593.15916 232.7
[M+HCOO]- 655.16010 265.8
[M+CH3COO]- 669.17575 274.1
[M+Na-2H]- 631.13657 247.5
[M]+ 610.16135 254.6
[M]- 610.16245 254.6
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.