CID 17843092

Orb1986122

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
1
Annotation Hits

0
References

773
Patents

327.18344 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 178.8
[M+Na]+ 350.172658 182.2
[M-H]- 326.176164 184.7
[M+NH4]+ 345.217263 191.8
[M+K]+ 366.146598 180.3
[M+H-H2O]+ 310.180700 170.9
[M+HCOO]- 372.181641 197.8
[M+CH3COO]- 386.197291 212.0
[M+Na-2H]- 348.158106 183.6
[M]+ 327.18289142 180.5
[M]- 327.18398858 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

No patent data available for this compound.