CID 170072

Einecs 254-003-9

Structural Information

Molecular Formula
C18H13N5O3
SMILES
C1=CC(=CC=C1N=NC2=CC=C(C=C2)[N+](=O)[O-])N=NC3=CC=C(C=C3)O
InChI
InChI=1S/C18H13N5O3/c24-18-11-7-16(8-12-18)22-20-14-3-1-13(2-4-14)19-21-15-5-9-17(10-6-15)23(25)26/h1-12,24H
InChIKey
CXWPPJHWQZBMAO-UHFFFAOYSA-N
Compound name
4-[[4-[(4-nitrophenyl)diazenyl]phenyl]diazenyl]phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

347.10184 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.109116 175.9
[M+Na]+ 370.091058 180.7
[M-H]- 346.094564 189.4
[M+NH4]+ 365.135663 187.8
[M+K]+ 386.064998 173.8
[M+H-H2O]+ 330.099100 168.6
[M+HCOO]- 392.100041 209.5
[M+CH3COO]- 406.115691 221.3
[M+Na-2H]- 368.076506 186.5
[M]+ 347.10129142 175.9
[M]- 347.10238858 175.9
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

patents stripe