CID 20055630

1,1-dimethylethyl n-((1r)-1-(hydroxymethyl)-2,2-diphenylethyl)carbamate

Structural Information

Molecular Formula
C20H25NO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CO)C(C1=CC=CC=C1)C2=CC=CC=C2
InChI
InChI=1S/C20H25NO3/c1-20(2,3)24-19(23)21-17(14-22)18(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-13,17-18,22H,14H2,1-3H3,(H,21,23)/t17-/m0/s1
InChIKey
OGVCRJDQGBIHAG-KRWDZBQOSA-N
Compound name
tert-butyl N-[(2R)-3-hydroxy-1,1-diphenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

327.18344 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.190716 180.5
[M+Na]+ 350.172658 183.0
[M-H]- 326.176164 184.9
[M+NH4]+ 345.217263 192.8
[M+K]+ 366.146598 180.2
[M+H-H2O]+ 310.180700 172.5
[M+HCOO]- 372.181641 198.7
[M+CH3COO]- 386.197291 208.7
[M+Na-2H]- 348.158106 182.6
[M]+ 327.18289142 180.1
[M]- 327.18398858 180.1
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