CID 81202

1-triazene, 1-(4-nitro-1-naphthalenyl)-3-(4-(2-phenyldiazenyl)phenyl)-

Structural Information

Molecular Formula
C22H16N6O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C4=CC=CC=C43)[N+](=O)[O-]
InChI
InChI=1S/C22H16N6O2/c29-28(30)22-15-14-21(19-8-4-5-9-20(19)22)26-27-25-18-12-10-17(11-13-18)24-23-16-6-2-1-3-7-16/h1-15H,(H,25,26)
InChIKey
XXHDVJVLFBXOGN-UHFFFAOYSA-N
Compound name
N-[(4-nitronaphthalen-1-yl)diazenyl]-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.13348 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.14076 185.8
[M+Na]+ 419.12270 189.4
[M-H]- 395.12620 200.3
[M+NH4]+ 414.16730 196.5
[M+K]+ 435.09664 181.7
[M+H-H2O]+ 379.13074 177.1
[M+HCOO]- 441.13168 219.5
[M+CH3COO]- 455.14733 236.1
[M+Na-2H]- 417.10815 198.7
[M]+ 396.13293 185.5
[M]- 396.13403 185.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.