CID 57975893

262433-29-4

Structural Information

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

57
Patents

349.20605 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.21333 177.8
[M+Na]+ 372.19527 185.3
[M-H]- 348.19877 186.4
[M+NH4]+ 367.23987 194.7
[M+K]+ 388.16921 187.0
[M+H-H2O]+ 332.20331 173.7
[M+HCOO]- 394.20425 196.4
[M+CH3COO]- 408.21990 215.2
[M+Na-2H]- 370.18072 182.3
[M]+ 349.20550 184.9
[M]- 349.20660 184.9
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