CID 488960

Chembl97306

Structural Information

Molecular Formula
C22H24N2O2
SMILES
CC1(CN(C=N1)CC2CC(C(=O)O2)(C3=CC=CC=C3)C4=CC=CC=C4)C
InChI
InChI=1S/C22H24N2O2/c1-21(2)15-24(16-23-21)14-19-13-22(20(25)26-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,16,19H,13-15H2,1-2H3
InChIKey
RVLMLWVWPGPQAO-UHFFFAOYSA-N
Compound name
5-[(5,5-dimethyl-4H-imidazol-3-yl)methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.18378 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.19106 181.7
[M+Na]+ 371.17300 189.4
[M-H]- 347.17650 192.9
[M+NH4]+ 366.21760 197.7
[M+K]+ 387.14694 185.3
[M+H-H2O]+ 331.18104 172.1
[M+HCOO]- 393.18198 200.6
[M+CH3COO]- 407.19763 192.7
[M+Na-2H]- 369.15845 182.0
[M]+ 348.18323 181.4
[M]- 348.18433 181.4
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

No patent data available for this compound.