CID 74789473

1449134-30-8

Structural Information

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

0
Patents

305.17984 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.18712 169.9
[M+Na]+ 328.16906 179.4
[M+NH4]+ 323.21366 178.7
[M+K]+ 344.14300 173.3
[M-H]- 304.17256 174.4
[M+Na-2H]- 326.15451 175.7
[M]+ 305.17929 172.6
[M]- 305.18039 172.6
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

No patent data available for this compound.