CID 106381

68016-06-8

Structural Information

Molecular Formula
C26H22N4O3
SMILES
CC1=C(C=C(C=C1)C(=O)N)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=CC=C4C)O
InChI
InChI=1S/C26H22N4O3/c1-15-7-3-6-10-21(15)28-26(33)20-13-17-8-4-5-9-19(17)23(24(20)31)30-29-22-14-18(25(27)32)12-11-16(22)2/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)
InChIKey
BDBJLAKMKQMELG-UHFFFAOYSA-N
Compound name
4-[(5-carbamoyl-2-methylphenyl)diazenyl]-3-hydroxy-N-(2-methylphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

438.1692 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.17648 208.6
[M+Na]+ 461.15842 222.1
[M+NH4]+ 456.20302 214.9
[M+K]+ 477.13236 214.0
[M-H]- 437.16192 217.3
[M+Na-2H]- 459.14387 217.5
[M]+ 438.16865 212.8
[M]- 438.16975 212.8
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