CID 488959

Chembl97582

Structural Information

Molecular Formula
C21H22N2O2
SMILES
CC1=NCCN1CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H22N2O2/c1-16-22-12-13-23(16)15-19-14-21(20(24)25-19,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-11,19H,12-15H2,1H3
InChIKey
OGBSCCTWJJTVJC-UHFFFAOYSA-N
Compound name
5-[(2-methyl-4,5-dihydroimidazol-1-yl)methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.16812 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.17540 178.9
[M+Na]+ 357.15734 185.8
[M-H]- 333.16084 189.8
[M+NH4]+ 352.20194 193.3
[M+K]+ 373.13128 181.7
[M+H-H2O]+ 317.16538 169.1
[M+HCOO]- 379.16632 197.9
[M+CH3COO]- 393.18197 189.7
[M+Na-2H]- 355.14279 178.3
[M]+ 334.16757 177.7
[M]- 334.16867 177.7
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.