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

138
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

literature stripe

Patent stripe

patents stripe