CID 17750267

214360-57-3

Structural Information

Molecular Formula
C14H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NC
InChI
InChI=1S/C14H20BNO3/c1-13(2)14(3,4)19-15(18-13)11-8-6-10(7-9-11)12(17)16-5/h6-9H,1-5H3,(H,16,17)
InChIKey
AICMMMQOGJNFFG-UHFFFAOYSA-N
Compound name
N-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

261.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.16091 156.4
[M+Na]+ 284.14285 164.6
[M-H]- 260.14635 165.1
[M+NH4]+ 279.18745 176.5
[M+K]+ 300.11679 165.0
[M+H-H2O]+ 244.15089 151.8
[M+HCOO]- 306.15183 177.5
[M+CH3COO]- 320.16748 198.4
[M+Na-2H]- 282.12830 161.5
[M]+ 261.15308 159.3
[M]- 261.15418 159.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe