CID 105229

65907-69-9

Structural Information

Molecular Formula
C26H22ClN3O3
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)C
InChI
InChI=1S/C26H22ClN3O3/c1-3-33-23-11-7-6-10-22(23)28-26(32)20-15-17-8-4-5-9-19(17)24(25(20)31)30-29-21-13-12-18(27)14-16(21)2/h4-15,31H,3H2,1-2H3,(H,28,32)
InChIKey
PBZAQXHQPHZWIF-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-methylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

459.13498 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.14226 212.0
[M+Na]+ 482.12420 219.8
[M-H]- 458.12770 223.8
[M+NH4]+ 477.16880 222.0
[M+K]+ 498.09814 213.6
[M+H-H2O]+ 442.13224 201.2
[M+HCOO]- 504.13318 232.8
[M+CH3COO]- 518.14883 243.9
[M+Na-2H]- 480.10965 215.1
[M]+ 459.13443 218.0
[M]- 459.13553 218.0
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

patents stripe