CID 2758502

840521-76-8

Structural Information

Molecular Formula
C17H27BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)C(=O)NCCN(C)C
InChI
InChI=1S/C17H27BN2O3/c1-16(2)17(3,4)23-18(22-16)14-9-7-8-13(12-14)15(21)19-10-11-20(5)6/h7-9,12H,10-11H2,1-6H3,(H,19,21)
InChIKey
KQUHTIHQDGBEMM-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

318.2115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21878 175.1
[M+Na]+ 341.20072 184.3
[M+NH4]+ 336.24532 184.3
[M+K]+ 357.17466 178.0
[M-H]- 317.20422 181.1
[M+Na-2H]- 339.18617 181.7
[M]+ 318.21095 178.3
[M]- 318.21205 178.3
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