CID 71306534

2096339-20-5

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 182.6
[M+Na]+ 372.23165 192.5
[M+NH4]+ 367.27625 191.9
[M+K]+ 388.20559 185.2
[M-H]- 348.23515 188.3
[M+Na-2H]- 370.21710 189.0
[M]+ 349.24188 185.9
[M]- 349.24298 185.9
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

No patent data available for this compound.