CID 44755181

1032758-82-9

Structural Information

Molecular Formula
C18H29BN2O4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(N=C2)N(C)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C18H29BN2O4/c1-12-10-13(19-24-17(5,6)18(7,8)25-19)11-20-14(12)21(9)15(22)23-16(2,3)4/h10-11H,1-9H3
InChIKey
FZESGBZQXNHCBH-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-[3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

348.22205 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.22933 177.5
[M+Na]+ 371.21127 185.4
[M-H]- 347.21477 186.3
[M+NH4]+ 366.25587 193.9
[M+K]+ 387.18521 187.8
[M+H-H2O]+ 331.21931 172.6
[M+HCOO]- 393.22025 195.3
[M+CH3COO]- 407.23590 219.0
[M+Na-2H]- 369.19672 181.0
[M]+ 348.22150 184.9
[M]- 348.22260 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