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]+ 328.19072 180.5
[M+Na]+ 350.17266 183.0
[M-H]- 326.17616 184.9
[M+NH4]+ 345.21726 192.8
[M+K]+ 366.14660 180.2
[M+H-H2O]+ 310.18070 172.5
[M+HCOO]- 372.18164 198.7
[M+CH3COO]- 386.19729 208.7
[M+Na-2H]- 348.15811 182.6
[M]+ 327.18289 180.1
[M]- 327.18399 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