CID 112413

70343-45-2

Structural Information

Molecular Formula
C26H22N4O4
SMILES
CC1=CC(=C(C=C1)C(=O)N)N=NC2=C(C(=CC3=CC=CC=C32)C(=O)NC4=CC=C(C=C4)OC)O
InChI
InChI=1S/C26H22N4O4/c1-15-7-12-20(25(27)32)22(13-15)29-30-23-19-6-4-3-5-16(19)14-21(24(23)31)26(33)28-17-8-10-18(34-2)11-9-17/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)
InChIKey
KFTXYWZBFHHIDU-UHFFFAOYSA-N
Compound name
4-[(2-carbamoyl-5-methylphenyl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.1641 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.17138 211.4
[M+Na]+ 477.15332 224.3
[M+NH4]+ 472.19792 217.0
[M+K]+ 493.12726 216.8
[M-H]- 453.15682 219.6
[M+Na-2H]- 475.13877 219.8
[M]+ 454.16355 215.3
[M]- 454.16465 215.3
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

No patent data available for this compound.