CID 17414

Disperse orange 1

Structural Information

Molecular Formula
C18H14N4O2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N4O2/c23-22(24)18-12-10-17(11-13-18)21-20-16-8-6-15(7-9-16)19-14-4-2-1-3-5-14/h1-13,19H
InChIKey
YFVXLROHJBSEDW-UHFFFAOYSA-N
Compound name
4-[(4-nitrophenyl)diazenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

1883
Patents

318.11166 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.118936 170.0
[M+Na]+ 341.100878 174.3
[M-H]- 317.104384 181.8
[M+NH4]+ 336.145483 182.7
[M+K]+ 357.074818 166.4
[M+H-H2O]+ 301.108920 163.5
[M+HCOO]- 363.109861 201.0
[M+CH3COO]- 377.125511 212.1
[M+Na-2H]- 339.086326 180.2
[M]+ 318.11111142 168.0
[M]- 318.11220858 168.0
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