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 200.0
[M+Na]+ 480.09145 201.1
[M-H]- 456.09495 210.6
[M+NH4]+ 475.13605 205.3
[M+K]+ 496.06539 189.9
[M+H-H2O]+ 440.09949 196.2
[M+HCOO]- 502.10043 225.7
[M+CH3COO]- 516.11608 230.4
[M+Na-2H]- 478.07690 209.7
[M]+ 457.10168 196.9
[M]- 457.10278 196.9
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.