CID 116575

64346-10-7

Structural Information

Molecular Formula
C26H22ClN3O5
SMILES
COC1=CC(=C(C=C1)OC)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)Cl)OC
InChI
InChI=1S/C26H22ClN3O5/c1-33-17-9-11-22(34-2)20(14-17)28-26(32)19-12-15-6-4-5-7-18(15)24(25(19)31)30-29-21-13-16(27)8-10-23(21)35-3/h4-14,31H,1-3H3,(H,28,32)
InChIKey
CEOFHVVWPCFTEU-UHFFFAOYSA-N
Compound name
4-[(5-chloro-2-methoxyphenyl)diazenyl]-N-(2,5-dimethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

491.1248 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.13208 218.5
[M+Na]+ 514.11402 234.2
[M+NH4]+ 509.15862 225.0
[M+K]+ 530.08796 225.0
[M-H]- 490.11752 226.8
[M+Na-2H]- 512.09947 227.6
[M]+ 491.12425 223.5
[M]- 491.12535 223.5
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.