CID 84297

2-naphthalenecarboxamide, 4-[[5-(aminocarbonyl)-2-methylphenyl]azo]-3-hydroxy-n-(4-methoxyphenyl)-

Structural Information

Molecular Formula
C26H22N4O4
SMILES
CC1=C(C=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/c1-15-7-8-17(25(27)32)14-22(15)29-30-23-20-6-4-3-5-16(20)13-21(24(23)31)26(33)28-18-9-11-19(34-2)12-10-18/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)
InChIKey
RGPDBUFBAKNLRJ-UHFFFAOYSA-N
Compound name
4-[(5-carbamoyl-2-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 209.2
[M+Na]+ 477.15332 214.7
[M-H]- 453.15682 220.7
[M+NH4]+ 472.19792 217.4
[M+K]+ 493.12726 211.0
[M+H-H2O]+ 437.16136 197.4
[M+HCOO]- 499.16230 234.0
[M+CH3COO]- 513.17795 248.2
[M+Na-2H]- 475.13877 211.7
[M]+ 454.16355 210.9
[M]- 454.16465 210.9
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.