CID 44119377

874291-00-6

Structural Information

Molecular Formula
C15H23BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)NC(=O)NCC
InChI
InChI=1S/C15H23BN2O3/c1-6-17-13(19)18-12-9-7-11(8-10-12)16-20-14(2,3)15(4,5)21-16/h7-10H,6H2,1-5H3,(H2,17,18,19)
InChIKey
BYHDTZHNPIWVOP-UHFFFAOYSA-N
Compound name
1-ethyl-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

72
Patents

290.18018 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.18746 166.8
[M+Na]+ 313.16940 176.3
[M+NH4]+ 308.21400 176.2
[M+K]+ 329.14334 169.9
[M-H]- 289.17290 172.6
[M+Na-2H]- 311.15485 173.6
[M]+ 290.17963 169.9
[M]- 290.18073 169.9
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