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

282
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 173.6
[M+Na]+ 320.16210 176.8
[M-H]- 296.16560 180.4
[M+NH4]+ 315.20670 188.3
[M+K]+ 336.13604 174.6
[M+H-H2O]+ 280.17014 164.5
[M+HCOO]- 342.17108 196.3
[M+CH3COO]- 356.18673 209.5
[M+Na-2H]- 318.14755 176.0
[M]+ 297.17233 175.6
[M]- 297.17343 175.6
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