CID 66877292

1186334-82-6

Structural Information

Molecular Formula
C13H17BN2O3
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=C3C(=CC=C2)NC(=O)N3
InChI
InChI=1S/C13H17BN2O3/c1-12(2)13(3,4)19-14(18-12)8-6-5-7-9-10(8)16-11(17)15-9/h5-7H,1-4H3,(H2,15,16,17)
InChIKey
NMFRSSLLXHMHCL-UHFFFAOYSA-N
Compound name
4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3-dihydrobenzimidazol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

260.1332 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.14048 153.2
[M+Na]+ 283.12242 165.3
[M-H]- 259.12592 158.6
[M+NH4]+ 278.16702 172.7
[M+K]+ 299.09636 162.7
[M+H-H2O]+ 243.13046 148.3
[M+HCOO]- 305.13140 171.0
[M+CH3COO]- 319.14705 166.6
[M+Na-2H]- 281.10787 158.2
[M]+ 260.13265 156.0
[M]- 260.13375 156.0
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