CID 135408754

Cadion

Structural Information

Molecular Formula
C18H14N6O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)NN=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N6O2/c25-24(26)18-12-10-17(11-13-18)22-23-21-16-8-6-15(7-9-16)20-19-14-4-2-1-3-5-14/h1-13H,(H,21,22)
InChIKey
SMMIDVLUFMPWFN-UHFFFAOYSA-N
Compound name
N-[(4-nitrophenyl)diazenyl]-4-phenyldiazenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

134
Patents

346.11783 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.12511 174.0
[M+Na]+ 369.10705 177.6
[M-H]- 345.11055 188.2
[M+NH4]+ 364.15165 186.0
[M+K]+ 385.08099 171.0
[M+H-H2O]+ 329.11509 166.1
[M+HCOO]- 391.11603 209.8
[M+CH3COO]- 405.13168 225.5
[M+Na-2H]- 367.09250 186.3
[M]+ 346.11728 173.4
[M]- 346.11838 173.4
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

patents stripe