CID 32331

Elucaine

Structural Information

Molecular Formula
C19H23NO2
SMILES
CCN(CC)CC(C1=CC=CC=C1)OC(=O)C2=CC=CC=C2
InChI
InChI=1S/C19H23NO2/c1-3-20(4-2)15-18(16-11-7-5-8-12-16)22-19(21)17-13-9-6-10-14-17/h5-14,18H,3-4,15H2,1-2H3
InChIKey
AVXDZNOJIVOGRR-UHFFFAOYSA-N
Compound name
[2-(diethylamino)-1-phenylethyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

270
Patents

297.17288 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.18016 172.9
[M+Na]+ 320.16210 185.2
[M+NH4]+ 315.20670 180.8
[M+K]+ 336.13604 177.7
[M-H]- 296.16560 177.8
[M+Na-2H]- 318.14755 181.6
[M]+ 297.17233 176.0
[M]- 297.17343 176.0
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

patents stripe