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 212.8
[M+Na]+ 490.18496 216.4
[M-H]- 466.18846 225.4
[M+NH4]+ 485.22956 220.8
[M+K]+ 506.15890 213.6
[M+H-H2O]+ 450.19300 200.5
[M+HCOO]- 512.19394 239.1
[M+CH3COO]- 526.20959 255.5
[M+Na-2H]- 488.17041 216.4
[M]+ 467.19519 214.5
[M]- 467.19629 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.