CID 44755168

N-cyclohexyl-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine

Structural Information

Molecular Formula
C17H27BN2O2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)NC3CCCCC3
InChI
InChI=1S/C17H27BN2O2/c1-16(2)17(3,4)22-18(21-16)13-10-11-15(19-12-13)20-14-8-6-5-7-9-14/h10-12,14H,5-9H2,1-4H3,(H,19,20)
InChIKey
OUNIDPZAEODMBT-UHFFFAOYSA-N
Compound name
N-cyclohexyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

302.21655 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.22383 170.9
[M+Na]+ 325.20577 176.1
[M-H]- 301.20927 179.9
[M+NH4]+ 320.25037 187.2
[M+K]+ 341.17971 175.3
[M+H-H2O]+ 285.21381 163.1
[M+HCOO]- 347.21475 187.3
[M+CH3COO]- 361.23040 181.6
[M+Na-2H]- 323.19122 173.9
[M]+ 302.21600 168.2
[M]- 302.21710 168.2
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