CID 3020277

85005-63-6

Structural Information

Molecular Formula
C23H15N5O6
SMILES
C1=CC=C(C=C1)NC(=O)C2=CC3=CC=CC=C3C(=C2O)N=NC4=C(C=C(C=C4)[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C23H15N5O6/c29-22-18(23(30)24-15-7-2-1-3-8-15)12-14-6-4-5-9-17(14)21(22)26-25-19-11-10-16(27(31)32)13-20(19)28(33)34/h1-13,29H,(H,24,30)
InChIKey
IXVZAOJDLOSZQG-UHFFFAOYSA-N
Compound name
4-[(2,4-dinitrophenyl)diazenyl]-3-hydroxy-N-phenylnaphthalene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

457.10223 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 458.10951 205.8
[M+Na]+ 480.09145 220.0
[M+NH4]+ 475.13605 211.4
[M+K]+ 496.06539 217.5
[M-H]- 456.09495 215.8
[M+Na-2H]- 478.07690 214.5
[M]+ 457.10168 210.3
[M]- 457.10278 210.3
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.