CID 488956

Chembl95702

Structural Information

Molecular Formula
C21H26N2O2
SMILES
CN(C)CCNCC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H26N2O2/c1-23(2)14-13-22-16-19-15-21(20(24)25-19,17-9-5-3-6-10-17)18-11-7-4-8-12-18/h3-12,19,22H,13-16H2,1-2H3
InChIKey
GQDCCQZLTJWGAC-UHFFFAOYSA-N
Compound name
5-[[2-(dimethylamino)ethylamino]methyl]-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.19943 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.20671 182.5
[M+Na]+ 361.18865 186.7
[M-H]- 337.19215 193.5
[M+NH4]+ 356.23325 197.9
[M+K]+ 377.16259 184.2
[M+H-H2O]+ 321.19669 173.6
[M+HCOO]- 383.19763 206.0
[M+CH3COO]- 397.21328 217.7
[M+Na-2H]- 359.17410 185.3
[M]+ 338.19888 183.0
[M]- 338.19998 183.0
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.