CID 86700164

1362243-58-0

Structural Information

Molecular Formula
C15H21BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N(C(=O)N3C)C
InChI
InChI=1S/C15H21BN2O3/c1-14(2)15(3,4)21-16(20-14)10-7-8-11-12(9-10)18(6)13(19)17(11)5/h7-9H,1-6H3
InChIKey
FAWRQFIZFNVUIS-UHFFFAOYSA-N
Compound name
1,3-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

288.16452 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.17180 158.5
[M+Na]+ 311.15374 172.3
[M-H]- 287.15724 167.0
[M+NH4]+ 306.19834 178.9
[M+K]+ 327.12768 171.0
[M+H-H2O]+ 271.16178 153.6
[M+HCOO]- 333.16272 178.6
[M+CH3COO]- 347.17837 173.2
[M+Na-2H]- 309.13919 162.2
[M]+ 288.16397 166.3
[M]- 288.16507 166.3
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