CID 162235

36968-27-1

Structural Information

Molecular Formula
C25H20N4O4
SMILES
COC1=CC=CC=C1NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=CC=C(C=C4)C(=O)N
InChI
InChI=1S/C25H20N4O4/c1-33-21-9-5-4-8-20(21)27-25(32)19-14-16-6-2-3-7-18(16)22(23(19)30)29-28-17-12-10-15(11-13-17)24(26)31/h2-14,30H,1H3,(H2,26,31)(H,27,32)
InChIKey
HULNYTPFPARJMG-UHFFFAOYSA-N
Compound name
4-[(4-carbamoylphenyl)diazenyl]-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

28
Patents

440.14847 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.15575 206.5
[M+Na]+ 463.13769 219.3
[M+NH4]+ 458.18229 212.3
[M+K]+ 479.11163 211.9
[M-H]- 439.14119 214.7
[M+Na-2H]- 461.12314 215.5
[M]+ 440.14792 210.4
[M]- 440.14902 210.4
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