CID 85325

16195-23-6

Structural Information

Molecular Formula
C32H26N4O5
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC=C2)N=NC3=C(C(=CC4=CC=CC=C43)C(=O)NC5=CC=CC=C5OC)O
InChI
InChI=1S/C32H26N4O5/c1-40-27-15-9-8-14-25(27)34-32(39)24-18-20-10-6-7-13-23(20)29(30(24)37)36-35-26-19-21(16-17-28(26)41-2)31(38)33-22-11-4-3-5-12-22/h3-19,37H,1-2H3,(H,33,38)(H,34,39)
InChIKey
HTIYWMBRMPXSEQ-UHFFFAOYSA-N
Compound name
3-hydroxy-N-(2-methoxyphenyl)-4-[[2-methoxy-5-(phenylcarbamoyl)phenyl]diazenyl]naphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

546.1903 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 547.19758 230.3
[M+Na]+ 569.17952 233.6
[M-H]- 545.18302 244.2
[M+NH4]+ 564.22412 233.9
[M+K]+ 585.15346 230.2
[M+H-H2O]+ 529.18756 216.1
[M+HCOO]- 591.18850 254.4
[M+CH3COO]- 605.20415 263.4
[M+Na-2H]- 567.16497 233.7
[M]+ 546.18975 233.1
[M]- 546.19085 233.1
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.