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]+ 296.16451 169.7
[M+Na]+ 318.14645 175.7
[M-H]- 294.14995 179.8
[M+NH4]+ 313.19105 186.7
[M+K]+ 334.12039 172.1
[M+H-H2O]+ 278.15449 161.7
[M+HCOO]- 340.15543 192.5
[M+CH3COO]- 354.17108 181.4
[M+Na-2H]- 316.13190 173.7
[M]+ 295.15668 169.0
[M]- 295.15778 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.