CID 135473066

Ccg-47547

Structural Information

Molecular Formula
C20H18N2O3
SMILES
CCCN=C(C1=CC=CC=C1)C2=C(C(=O)N(C2=O)C3=CC=CC=C3)O
InChI
InChI=1S/C20H18N2O3/c1-2-13-21-17(14-9-5-3-6-10-14)16-18(23)20(25)22(19(16)24)15-11-7-4-8-12-15/h3-12,23H,2,13H2,1H3
InChIKey
HSHMKDRVFBHMEE-UHFFFAOYSA-N
Compound name
3-hydroxy-1-phenyl-4-(C-phenyl-N-propylcarbonimidoyl)pyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

334.13174 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.139016 178.6
[M+Na]+ 357.120958 185.8
[M-H]- 333.124464 187.5
[M+NH4]+ 352.165563 192.1
[M+K]+ 373.094898 180.6
[M+H-H2O]+ 317.129000 169.3
[M+HCOO]- 379.129941 201.5
[M+CH3COO]- 393.145591 212.4
[M+Na-2H]- 355.106406 178.8
[M]+ 334.13119142 179.3
[M]- 334.13228858 179.3
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

No patent data available for this compound.