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]+ 468.203016 212.8
[M+Na]+ 490.184958 216.4
[M-H]- 466.188464 225.4
[M+NH4]+ 485.229563 220.8
[M+K]+ 506.158898 213.6
[M+H-H2O]+ 450.193000 200.5
[M+HCOO]- 512.193941 239.1
[M+CH3COO]- 526.209591 255.5
[M+Na-2H]- 488.170406 216.4
[M]+ 467.19519142 214.5
[M]- 467.19628858 214.5
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.