CID 3827652

342615-08-1

Structural Information

Molecular Formula
C23H16Cl2N2O3
SMILES
C1=CC=C(C=C1)N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=C(C=C(C=C5)Cl)Cl
InChI
InChI=1S/C23H16Cl2N2O3/c24-14-11-12-17(18(25)13-14)20-19-21(30-27(20)16-9-5-2-6-10-16)23(29)26(22(19)28)15-7-3-1-4-8-15/h1-13,19-21H
InChIKey
JSOJSWOILFOYBD-UHFFFAOYSA-N
Compound name
3-(2,4-dichlorophenyl)-2,5-diphenyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

438.0538 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.06108 206.0
[M+Na]+ 461.04302 216.8
[M-H]- 437.04652 217.5
[M+NH4]+ 456.08762 217.0
[M+K]+ 477.01696 209.5
[M+H-H2O]+ 421.05106 196.4
[M+HCOO]- 483.05200 214.0
[M+CH3COO]- 497.06765 215.5
[M+Na-2H]- 459.02847 201.1
[M]+ 438.05325 209.8
[M]- 438.05435 209.8
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

No patent data available for this compound.