CID 106381

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

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
2
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 206.8
[M+Na]+ 461.15842 212.7
[M-H]- 437.16192 218.4
[M+NH4]+ 456.20302 215.8
[M+K]+ 477.13236 208.1
[M+H-H2O]+ 421.16646 195.3
[M+HCOO]- 483.16740 231.5
[M+CH3COO]- 497.18305 245.9
[M+Na-2H]- 459.14387 209.1
[M]+ 438.16865 207.2
[M]- 438.16975 207.2
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