CID 173255

Einecs 277-750-2

Structural Information

Molecular Formula
C26H22ClN3O2
SMILES
CCC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)C
InChI
InChI=1S/C26H22ClN3O2/c1-3-17-8-5-7-11-23(17)28-26(32)21-15-18-9-4-6-10-20(18)24(25(21)31)30-29-22-13-12-19(27)14-16(22)2/h4-15,31H,3H2,1-2H3,(H,28,32)
InChIKey
ORHMPQAJPKHWEZ-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-methylphenyl)diazenyl]-N-(2-ethylphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

443.14005 Da
Monoisotopic Mass

7.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.14733 209.6
[M+Na]+ 466.12927 217.6
[M-H]- 442.13277 221.4
[M+NH4]+ 461.17387 220.4
[M+K]+ 482.10321 210.5
[M+H-H2O]+ 426.13731 199.0
[M+HCOO]- 488.13825 230.2
[M+CH3COO]- 502.15390 219.0
[M+Na-2H]- 464.11472 212.5
[M]+ 443.13950 214.2
[M]- 443.14060 214.2
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.