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 158.0
[M+Na]+ 288.06310 167.1
[M-H]- 264.06660 164.9
[M+NH4]+ 283.10770 173.5
[M+K]+ 304.03704 161.2
[M+H-H2O]+ 248.07114 150.3
[M+HCOO]- 310.07208 179.1
[M+CH3COO]- 324.08773 170.1
[M+Na-2H]- 286.04855 160.1
[M]+ 265.07333 155.9
[M]- 265.07443 155.9
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