CID 67451913

1171897-03-2

Structural Information

Molecular Formula
C19H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)[C@H](C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BNO4/c1-13(21-16(22)23-17(2,3)4)14-9-11-15(12-10-14)20-24-18(5,6)19(7,8)25-20/h9-13H,1-8H3,(H,21,22)/t13-/m0/s1
InChIKey
CPLFZBDHCQYOBY-ZDUSSCGKSA-N
Compound name
tert-butyl N-[(1S)-1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

99
Patents

347.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.23406 180.4
[M+Na]+ 370.21600 186.6
[M-H]- 346.21950 188.6
[M+NH4]+ 365.26060 197.2
[M+K]+ 386.18994 187.9
[M+H-H2O]+ 330.22404 176.2
[M+HCOO]- 392.22498 197.5
[M+CH3COO]- 406.24063 215.6
[M+Na-2H]- 368.20145 183.5
[M]+ 347.22623 185.4
[M]- 347.22733 185.4
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