CID 83758

Einecs 237-516-2

Structural Information

Molecular Formula
C25H21N3O3
SMILES
CC1=CC=C(C=C1)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C25H21N3O3/c1-16-7-9-19(10-8-16)27-28-23-21-6-4-3-5-17(21)15-22(24(23)29)25(30)26-18-11-13-20(31-2)14-12-18/h3-15,29H,1-2H3,(H,26,30)
InChIKey
UWMSGQGNEWJUMM-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(4-methoxyphenyl)-4-[(4-methylphenyl)diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

2
Patents

411.1583 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 412.16558 198.9
[M+Na]+ 434.14752 205.3
[M-H]- 410.15102 210.8
[M+NH4]+ 429.19212 209.5
[M+K]+ 450.12146 200.6
[M+H-H2O]+ 394.15556 187.3
[M+HCOO]- 456.15650 224.5
[M+CH3COO]- 470.17215 236.4
[M+Na-2H]- 432.13297 203.9
[M]+ 411.15775 201.3
[M]- 411.15885 201.3
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