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
3
Annotation Hits

16
References

1617
Patents

318.11166 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11894 173.4
[M+Na]+ 341.10088 188.8
[M+NH4]+ 336.14548 182.1
[M+K]+ 357.07482 181.9
[M-H]- 317.10438 184.1
[M+Na-2H]- 339.08633 186.3
[M]+ 318.11111 178.6
[M]- 318.11221 178.6
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