CID 57950577

944805-83-8

Structural Information

Molecular Formula
C14H19BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)NC(=O)N3C
InChI
InChI=1S/C14H19BN2O3/c1-13(2)14(3,4)20-15(19-13)9-6-7-10-11(8-9)17(5)12(18)16-10/h6-8H,1-5H3,(H,16,18)
InChIKey
WKNNSOFMCNKQNB-UHFFFAOYSA-N
Compound name
3-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-benzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

50
Patents

274.14886 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.15614 156.0
[M+Na]+ 297.13808 169.0
[M-H]- 273.14158 163.0
[M+NH4]+ 292.18268 176.0
[M+K]+ 313.11202 167.0
[M+H-H2O]+ 257.14612 151.1
[M+HCOO]- 319.14706 175.0
[M+CH3COO]- 333.16271 170.1
[M+Na-2H]- 295.12353 160.4
[M]+ 274.14831 161.3
[M]- 274.14941 161.3
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