CID 112411

70321-82-3

Structural Information

Molecular Formula
C26H22N4O5
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=CC(=C4)OC)C(=O)N
InChI
InChI=1S/C26H22N4O5/c1-34-17-9-7-16(8-10-17)28-26(33)21-13-15-5-3-4-6-19(15)23(24(21)31)30-29-22-14-18(35-2)11-12-20(22)25(27)32/h3-14,31H,1-2H3,(H2,27,32)(H,28,33)
InChIKey
OHXCVDBUMXEGTJ-UHFFFAOYSA-N
Compound name
4-[(2-carbamoyl-5-methoxyphenyl)diazenyl]-3-hydroxy-N-(4-methoxyphenyl)naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.15903 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.16631 214.0
[M+Na]+ 493.14825 226.5
[M+NH4]+ 488.19285 219.1
[M+K]+ 509.12219 219.5
[M-H]- 469.15175 221.7
[M+Na-2H]- 491.13370 222.1
[M]+ 470.15848 217.7
[M]- 470.15958 217.7
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.