CID 46739044

1073353-60-2

Structural Information

Molecular Formula
C16H24BNO4
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(=O)NCCOC
InChI
InChI=1S/C16H24BNO4/c1-15(2)16(3,4)22-17(21-15)13-8-6-12(7-9-13)14(19)18-10-11-20-5/h6-9H,10-11H2,1-5H3,(H,18,19)
InChIKey
XNDAIQVEKVZONM-UHFFFAOYSA-N
Compound name
N-(2-methoxyethyl)-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

10
Patents

305.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18712 168.5
[M+Na]+ 328.16906 175.7
[M-H]- 304.17256 176.8
[M+NH4]+ 323.21366 186.7
[M+K]+ 344.14300 176.2
[M+H-H2O]+ 288.17710 163.4
[M+HCOO]- 350.17804 189.1
[M+CH3COO]- 364.19369 206.6
[M+Na-2H]- 326.15451 172.8
[M]+ 305.17929 173.5
[M]- 305.18039 173.5
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