CID 46737997

1150561-75-3

Structural Information

Molecular Formula
C18H28BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C18H28BNO4/c1-12-9-10-13(19-23-17(5,6)18(7,8)24-19)14(11-12)20-15(21)22-16(2,3)4/h9-11H,1-8H3,(H,20,21)
InChIKey
WVTNHPZOSNRLET-UHFFFAOYSA-N
Compound name
tert-butyl N-[5-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

333.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21843 175.7
[M+Na]+ 356.20037 185.4
[M+NH4]+ 351.24497 184.4
[M+K]+ 372.17431 180.2
[M-H]- 332.20387 180.2
[M+Na-2H]- 354.18582 181.7
[M]+ 333.21060 178.6
[M]- 333.21170 178.6
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