CID 17843092

[1-(dimethylamino)-2-methylpropan-2-yl] 2-hydroxy-2,2-diphenylacetate

Structural Information

Molecular Formula
C20H25NO3
SMILES
CC(C)(CN(C)C)OC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)O
InChI
InChI=1S/C20H25NO3/c1-19(2,15-21(3)4)24-18(22)20(23,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-14,23H,15H2,1-4H3
InChIKey
WJIZVQNUJVMJAZ-UHFFFAOYSA-N
Compound name
[1-(dimethylamino)-2-methylpropan-2-yl] 2-hydroxy-2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

781
Patents

327.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.19072 178.8
[M+Na]+ 350.17266 182.2
[M-H]- 326.17616 184.7
[M+NH4]+ 345.21726 191.8
[M+K]+ 366.14660 180.3
[M+H-H2O]+ 310.18070 170.9
[M+HCOO]- 372.18164 197.8
[M+CH3COO]- 386.19729 212.0
[M+Na-2H]- 348.15811 183.6
[M]+ 327.18289 180.5
[M]- 327.18399 180.5
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

patents stripe