CID 49874

67465-37-6

Structural Information

Molecular Formula
C19H29NO4
SMILES
CCN(CC)CC(C)(C)COC(=O)C(C1=CC=CC=C1)OC(=O)C
InChI
InChI=1S/C19H29NO4/c1-6-20(7-2)13-19(4,5)14-23-18(22)17(24-15(3)21)16-11-9-8-10-12-16/h8-12,17H,6-7,13-14H2,1-5H3
InChIKey
RQKTXHXQEKLTSK-UHFFFAOYSA-N
Compound name
[3-(diethylamino)-2,2-dimethylpropyl] 2-acetyloxy-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.20966 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.216936 183.6
[M+Na]+ 358.198878 186.2
[M-H]- 334.202384 187.3
[M+NH4]+ 353.243483 197.3
[M+K]+ 374.172818 186.3
[M+H-H2O]+ 318.206920 176.0
[M+HCOO]- 380.207861 203.1
[M+CH3COO]- 394.223511 217.5
[M+Na-2H]- 356.184326 183.5
[M]+ 335.20911142 189.5
[M]- 335.21020858 189.5
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.