CID 17750221

262433-02-3

Structural Information

Molecular Formula
C18H28BNO5
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(=O)OC(C)(C)C)OC
InChI
InChI=1S/C18H28BNO5/c1-16(2,3)23-15(21)20-13-10-9-12(11-14(13)22-8)19-24-17(4,5)18(6,7)25-19/h9-11H,1-8H3,(H,20,21)
InChIKey
HTNAUNFQAMHASO-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-methoxy-4-(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

119
Patents

349.20605 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21333 178.3
[M+Na]+ 372.19527 187.5
[M+NH4]+ 367.23987 186.4
[M+K]+ 388.16921 182.8
[M-H]- 348.19877 182.2
[M+Na-2H]- 370.18072 183.9
[M]+ 349.20550 181.0
[M]- 349.20660 181.0
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