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

55
Patents

318.2115 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.21878 174.8
[M+Na]+ 341.20072 180.8
[M-H]- 317.20422 184.1
[M+NH4]+ 336.24532 192.7
[M+K]+ 357.17466 182.0
[M+H-H2O]+ 301.20876 169.1
[M+HCOO]- 363.20970 196.2
[M+CH3COO]- 377.22535 215.9
[M+Na-2H]- 339.18617 177.9
[M]+ 318.21095 179.1
[M]- 318.21205 179.1
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