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]+ 336.21694 183.6
[M+Na]+ 358.19888 186.2
[M-H]- 334.20238 187.3
[M+NH4]+ 353.24348 197.3
[M+K]+ 374.17282 186.3
[M+H-H2O]+ 318.20692 176.0
[M+HCOO]- 380.20786 203.1
[M+CH3COO]- 394.22351 217.5
[M+Na-2H]- 356.18433 183.5
[M]+ 335.20911 189.5
[M]- 335.21021 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.