CID 4712653

916587-44-5

Structural Information

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

185
Patents

333.21115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.21843 174.7
[M+Na]+ 356.20037 181.7
[M-H]- 332.20387 184.5
[M+NH4]+ 351.24497 192.7
[M+K]+ 372.17431 184.1
[M+H-H2O]+ 316.20841 170.4
[M+HCOO]- 378.20935 193.7
[M+CH3COO]- 392.22500 215.1
[M+Na-2H]- 354.18582 178.8
[M]+ 333.21060 181.1
[M]- 333.21170 181.1
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