CID 46739749

N-(prop-2-yn-1-yl)-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide

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 163.2
[M+Na]+ 308.14285 174.1
[M-H]- 284.14635 169.1
[M+NH4]+ 303.18745 180.1
[M+K]+ 324.11679 170.0
[M+H-H2O]+ 268.15089 152.0
[M+HCOO]- 330.15183 178.3
[M+CH3COO]- 344.16748 208.6
[M+Na-2H]- 306.12830 166.3
[M]+ 285.15308 160.4
[M]- 285.15418 160.4
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