CID 3052671

69225-91-8

Structural Information

Molecular Formula
C20H31NO4
SMILES
CCN(CC)CC(C)(C)COC(=O)C(COC(=O)C)C1=CC=CC=C1
InChI
InChI=1S/C20H31NO4/c1-6-21(7-2)14-20(4,5)15-25-19(23)18(13-24-16(3)22)17-11-9-8-10-12-17/h8-12,18H,6-7,13-15H2,1-5H3
InChIKey
QKDYJBZQHIEJNH-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 3-acetyloxy-2-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.2253 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.23258 188.3
[M+Na]+ 372.21452 190.4
[M-H]- 348.21802 191.8
[M+NH4]+ 367.25912 201.4
[M+K]+ 388.18846 190.3
[M+H-H2O]+ 332.22256 180.5
[M+HCOO]- 394.22350 207.5
[M+CH3COO]- 408.23915 220.5
[M+Na-2H]- 370.19997 187.6
[M]+ 349.22475 194.6
[M]- 349.22585 194.6
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

No patent data available for this compound.