CID 54702979

77529-41-0

Structural Information

Molecular Formula
C16H11NO3
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C(C(=O)NC3=O)O
InChI
InChI=1S/C16H11NO3/c18-14-13(15(19)17-16(14)20)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H,(H2,17,18,19,20)
InChIKey
JOHXXIIKYZCYCN-UHFFFAOYSA-N
Compound name
3-hydroxy-4-(4-phenylphenyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

265.07388 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.08116 160.4
[M+Na]+ 288.06310 174.8
[M+NH4]+ 283.10770 167.8
[M+K]+ 304.03704 169.7
[M-H]- 264.06660 164.6
[M+Na-2H]- 286.04855 168.8
[M]+ 265.07333 163.6
[M]- 265.07443 163.6
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