CID 46739749

1218790-49-8

Structural Information

Molecular Formula
C16H20BNO3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCC#C
InChI
InChI=1S/C16H20BNO3/c1-6-11-18-14(19)12-7-9-13(10-8-12)17-20-15(2,3)16(4,5)21-17/h1,7-10H,11H2,2-5H3,(H,18,19)
InChIKey
BUZIZNWTLHGQQO-UHFFFAOYSA-N
Compound name
N-prop-2-ynyl-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

1
Patents

285.15363 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.16091 159.6
[M+Na]+ 308.14285 170.2
[M+NH4]+ 303.18745 165.5
[M+K]+ 324.11679 160.7
[M-H]- 284.14635 156.4
[M+Na-2H]- 306.12830 163.5
[M]+ 285.15308 159.6
[M]- 285.15418 159.6
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