CID 2872697

471917-63-2

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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	375.133926	185.8
[M+Na]+	397.115868	195.0
[M-H]-	373.119374	199.8
[M+NH4]+	392.160473	198.6
[M+K]+	413.089808	192.2
[M+H-H2O]+	357.123910	178.9
[M+HCOO]-	419.124851	204.5
[M+CH3COO]-	433.140501	197.5
[M+Na-2H]-	395.101316	181.8
[M]+	374.12610142	188.5
[M]-	374.12719858	188.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.