CID 2872697

3-(2-furyl)-2-(2-methylphenyl)-5-phenyldihydro-2h-pyrrolo[3,4-d]isoxazole-4,6(3h,5h)-dione

Structural Information

Molecular Formula
C22H18N2O4
SMILES
CC1=CC=CC=C1N2C(C3C(O2)C(=O)N(C3=O)C4=CC=CC=C4)C5=CC=CO5
InChI
InChI=1S/C22H18N2O4/c1-14-8-5-6-11-16(14)24-19(17-12-7-13-27-17)18-20(28-24)22(26)23(21(18)25)15-9-3-2-4-10-15/h2-13,18-20H,1H3
InChIKey
JLKCCMDOJXCROF-UHFFFAOYSA-N
Compound name
3-(furan-2-yl)-2-(2-methylphenyl)-5-phenyl-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

374.12665 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.13393 185.4
[M+Na]+ 397.11587 199.5
[M+NH4]+ 392.16047 192.7
[M+K]+ 413.08981 199.1
[M-H]- 373.11937 193.8
[M+Na-2H]- 395.10132 191.1
[M]+ 374.12610 189.8
[M]- 374.12720 189.8
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.