CID 76610

3150-82-1

Structural Information

Molecular Formula
C18H13ClN4O2
SMILES
C1=CC=C(C=C1)NC2=CC=C(C=C2)N=NC3=C(C=C(C=C3)[N+](=O)[O-])Cl
InChI
InChI=1S/C18H13ClN4O2/c19-17-12-16(23(24)25)10-11-18(17)22-21-15-8-6-14(7-9-15)20-13-4-2-1-3-5-13/h1-12,20H
InChIKey
RJXMVDQBCHMJTE-UHFFFAOYSA-N
Compound name
4-[(2-chloro-4-nitrophenyl)diazenyl]-N-phenylaniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

352.0727 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.07998 180.6
[M+Na]+ 375.06192 197.2
[M+NH4]+ 370.10652 189.5
[M+K]+ 391.03586 189.5
[M-H]- 351.06542 191.3
[M+Na-2H]- 373.04737 193.2
[M]+ 352.07215 186.3
[M]- 352.07325 186.3
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.