CID 85328

1h-pyrrole-2,5-dione, 1-[4-(2-phenyldiazenyl)phenyl]-

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(=O)C=CC3=O
InChI
InChI=1S/C16H11N3O2/c20-15-10-11-16(21)19(15)14-8-6-13(7-9-14)18-17-12-4-2-1-3-5-12/h1-11H
InChIKey
DVNPYLMPVFDKGZ-UHFFFAOYSA-N
Compound name
1-(4-phenyldiazenylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

144
Patents

277.0851 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 160.3
[M+Na]+ 300.07432 168.9
[M-H]- 276.07782 172.1
[M+NH4]+ 295.11892 177.1
[M+K]+ 316.04826 165.0
[M+H-H2O]+ 260.08236 150.5
[M+HCOO]- 322.08330 189.5
[M+CH3COO]- 336.09895 206.1
[M+Na-2H]- 298.05977 165.9
[M]+ 277.08455 161.5
[M]- 277.08565 161.5
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.