CID 109907

Einecs 269-456-8

Structural Information

Molecular Formula
C36H42ClN3O2
SMILES
CCCCCCCCCCCCC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)Cl)C
InChI
InChI=1S/C36H42ClN3O2/c1-3-4-5-6-7-8-9-10-11-12-15-27-18-21-30(22-19-27)38-36(42)32-25-28-16-13-14-17-31(28)34(35(32)41)40-39-33-23-20-29(37)24-26(33)2/h13-14,16-25,41H,3-12,15H2,1-2H3,(H,38,42)
InChIKey
YGDGODHUYDBXGM-UHFFFAOYSA-N
Compound name
4-[(4-chloro-2-methylphenyl)diazenyl]-N-(4-dodecylphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

583.2966 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 584.30388 255.2
[M+Na]+ 606.28582 269.9
[M+NH4]+ 601.33042 261.7
[M+K]+ 622.25976 256.4
[M-H]- 582.28932 264.4
[M+Na-2H]- 604.27127 262.9
[M]+ 583.29605 260.4
[M]- 583.29715 260.4
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.