CID 22874327

(s)-tert-butyl (1-(4-fluorophenyl)-3-hydroxypropan-2-yl)carbamate

Structural Information

Molecular Formula
C14H20FNO3
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)F)CO
InChI
InChI=1S/C14H20FNO3/c1-14(2,3)19-13(18)16-12(9-17)8-10-4-6-11(15)7-5-10/h4-7,12,17H,8-9H2,1-3H3,(H,16,18)/t12-/m0/s1
InChIKey
JQWRPZQKWUZPRC-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-1-(4-fluorophenyl)-3-hydroxypropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

269.14273 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.15001 163.4
[M+Na]+ 292.13195 171.5
[M+NH4]+ 287.17655 168.6
[M+K]+ 308.10589 167.5
[M-H]- 268.13545 161.9
[M+Na-2H]- 290.11740 166.5
[M]+ 269.14218 163.7
[M]- 269.14328 163.7
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