CID 3343699

Dtxsid801038072

Structural Information

Molecular Formula
C27H25N5O3
SMILES
CC(=O)NC1=CC=C(C=C1)N=NC2=CC(=C(C3=CC=CC=C32)O)C(=O)NC4=CC=CC=C4N(C)C
InChI
InChI=1S/C27H25N5O3/c1-17(33)28-18-12-14-19(15-13-18)30-31-24-16-22(26(34)21-9-5-4-8-20(21)24)27(35)29-23-10-6-7-11-25(23)32(2)3/h4-16,34H,1-3H3,(H,28,33)(H,29,35)
InChIKey
DJKGKFILGAZAOL-UHFFFAOYSA-N
Compound name
4-[(4-acetamidophenyl)diazenyl]-N-[2-(dimethylamino)phenyl]-1-hydroxynaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

467.19574 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.20302 215.6
[M+Na]+ 490.18496 227.6
[M+NH4]+ 485.22956 221.4
[M+K]+ 506.15890 219.8
[M-H]- 466.18846 224.8
[M+Na-2H]- 488.17041 224.8
[M]+ 467.19519 219.6
[M]- 467.19629 219.6
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.