CID 17750273

874290-99-0

Structural Information

Molecular Formula
C14H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NC
InChI
InChI=1S/C14H21BN2O3/c1-13(2)14(3,4)20-15(19-13)10-6-8-11(9-7-10)17-12(18)16-5/h6-9H,1-5H3,(H2,16,17,18)
InChIKey
MRHQTDZUJNAZGQ-UHFFFAOYSA-N
Compound name
1-methyl-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

130
Patents

276.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.17180 162.4
[M+Na]+ 299.15374 172.0
[M+NH4]+ 294.19834 171.9
[M+K]+ 315.12768 165.9
[M-H]- 275.15724 168.3
[M+Na-2H]- 297.13919 169.4
[M]+ 276.16397 165.5
[M]- 276.16507 165.5
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