CID 135948677

Schembl92072

Structural Information

Molecular Formula
C24H15ClN2O2
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C(=C(N3)O)C(=NC4=O)C5=CC=C(C=C5)Cl
InChI
InChI=1S/C24H15ClN2O2/c25-18-12-10-17(11-13-18)22-20-19(23(28)27-22)21(26-24(20)29)16-8-6-15(7-9-16)14-4-2-1-3-5-14/h1-13,26,29H
InChIKey
LEXLFKMZJZPYCP-UHFFFAOYSA-N
Compound name
4-(4-chlorophenyl)-3-hydroxy-1-(4-phenylphenyl)-2H-pyrrolo[3,4-c]pyrrol-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

398.0822 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.089476 195.4
[M+Na]+ 421.071418 206.5
[M-H]- 397.074924 205.5
[M+NH4]+ 416.116023 207.6
[M+K]+ 437.045358 196.7
[M+H-H2O]+ 381.079460 186.0
[M+HCOO]- 443.080401 210.3
[M+CH3COO]- 457.096051 205.5
[M+Na-2H]- 419.056866 193.8
[M]+ 398.08165142 197.4
[M]- 398.08274858 197.4
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