CID 75176000

N-methyl-n-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzyl)aniline

Structural Information

Molecular Formula
C20H26BNO2
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)CN(C)C3=CC=CC=C3
InChI
InChI=1S/C20H26BNO2/c1-19(2)20(3,4)24-21(23-19)17-13-11-16(12-14-17)15-22(5)18-9-7-6-8-10-18/h6-14H,15H2,1-5H3
InChIKey
BFJBQZUGGMWTPV-UHFFFAOYSA-N
Compound name
N-methyl-N-[[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.20566 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.21294 176.3
[M+Na]+ 346.19488 183.5
[M-H]- 322.19838 188.9
[M+NH4]+ 341.23948 194.0
[M+K]+ 362.16882 183.1
[M+H-H2O]+ 306.20292 169.0
[M+HCOO]- 368.20386 197.9
[M+CH3COO]- 382.21951 213.9
[M+Na-2H]- 344.18033 180.0
[M]+ 323.20511 179.7
[M]- 323.20621 179.7
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.