CID 71306534

Bis-(2-methoxy-ethyl)-[4-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzyl]-amine

Structural Information

Molecular Formula
C19H32BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(CCOC)CCOC
InChI
InChI=1S/C19H32BNO4/c1-18(2)19(3,4)25-20(24-18)17-9-7-16(8-10-17)15-21(11-13-22-5)12-14-23-6/h7-10H,11-15H2,1-6H3
InChIKey
AFZUICGXJWDQNH-UHFFFAOYSA-N
Compound name
2-methoxy-N-(2-methoxyethyl)-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.24243 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.24971 182.4
[M+Na]+ 372.23165 188.2
[M-H]- 348.23515 191.3
[M+NH4]+ 367.27625 199.4
[M+K]+ 388.20559 189.7
[M+H-H2O]+ 332.23969 176.4
[M+HCOO]- 394.24063 203.2
[M+CH3COO]- 408.25628 219.2
[M+Na-2H]- 370.21710 185.5
[M]+ 349.24188 191.0
[M]- 349.24298 191.0
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

No patent data available for this compound.