CID 67000000

1086600-36-3

Structural Information

Molecular Formula
C19H30BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CCNC(=O)OC(C)(C)C
InChI
InChI=1S/C19H30BNO4/c1-17(2,3)23-16(22)21-13-12-14-10-8-9-11-15(14)20-24-18(4,5)19(6,7)25-20/h8-11H,12-13H2,1-7H3,(H,21,22)
InChIKey
WADCCZWZIKUZGB-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-[2-(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

28
Patents

347.22678 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.234056 180.8
[M+Na]+ 370.215998 187.2
[M-H]- 346.219504 188.9
[M+NH4]+ 365.260603 197.6
[M+K]+ 386.189938 187.9
[M+H-H2O]+ 330.224040 176.3
[M+HCOO]- 392.224981 198.9
[M+CH3COO]- 406.240631 214.7
[M+Na-2H]- 368.201446 185.0
[M]+ 347.22623142 186.3
[M]- 347.22732858 186.3
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