CID 488957

Chembl95435

Structural Information

Molecular Formula
C19H21NO2
SMILES
CCNCC1CC(C(=O)O1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C19H21NO2/c1-2-20-14-17-13-19(18(21)22-17,15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,17,20H,2,13-14H2,1H3
InChIKey
LGHUXEXIXDGTKM-UHFFFAOYSA-N
Compound name
5-(ethylaminomethyl)-3,3-diphenyloxolan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.15723 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.164506 169.7
[M+Na]+ 318.146448 175.7
[M-H]- 294.149954 179.8
[M+NH4]+ 313.191053 186.7
[M+K]+ 334.120388 172.1
[M+H-H2O]+ 278.154490 161.7
[M+HCOO]- 340.155431 192.5
[M+CH3COO]- 354.171081 181.4
[M+Na-2H]- 316.131896 173.7
[M]+ 295.15668142 169.0
[M]- 295.15777858 169.0
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.