CID 625613

54660-00-3

Structural Information

Molecular Formula
C18H12N2O2
SMILES
C1=CC=C(C=C1)C2=C3C(=C(N2)O)C(=NC3=O)C4=CC=CC=C4
InChI
InChI=1S/C18H12N2O2/c21-17-13-14(16(20-17)12-9-5-2-6-10-12)18(22)19-15(13)11-7-3-1-4-8-11/h1-10,19,22H
InChIKey
KKLJFKIBTOBVJI-UHFFFAOYSA-N
Compound name
3-hydroxy-1,4-diphenyl-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

651
Patents

288.08987 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.09715 165.0
[M+Na]+ 311.07909 175.2
[M-H]- 287.08259 172.1
[M+NH4]+ 306.12369 181.1
[M+K]+ 327.05303 168.2
[M+H-H2O]+ 271.08713 157.0
[M+HCOO]- 333.08807 185.7
[M+CH3COO]- 347.10372 176.9
[M+Na-2H]- 309.06454 166.8
[M]+ 288.08932 164.5
[M]- 288.09042 164.5
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