CID 17740

2786-76-7

Structural Information

Molecular Formula
C26H22N4O4
SMILES
CCOC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C26H22N4O4/c1-2-34-22-10-6-5-9-21(22)28-26(33)20-15-17-7-3-4-8-19(17)23(24(20)31)30-29-18-13-11-16(12-14-18)25(27)32/h3-15,31H,2H2,1H3,(H2,27,32)(H,28,33)
InChIKey
BGVYDWVAGZBEMJ-UHFFFAOYSA-N
Compound name
4-[(4-carbamoylphenyl)diazenyl]-N-(2-ethoxyphenyl)-3-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

3908
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 207.7
[M+Na]+ 477.15332 212.4
[M-H]- 453.15682 218.9
[M+NH4]+ 472.19792 215.6
[M+K]+ 493.12726 208.5
[M+H-H2O]+ 437.16136 195.8
[M+HCOO]- 499.16230 232.6
[M+CH3COO]- 513.17795 246.8
[M+Na-2H]- 475.13877 211.1
[M]+ 454.16355 209.0
[M]- 454.16465 209.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe