CID 387100

Nsc680491

Structural Information

Molecular Formula
C11H14BN3O2
SMILES
B1(N(C(=O)N(C(=O)N1C)C)C)C2=CC=CC=C2
InChI
InChI=1S/C11H14BN3O2/c1-13-10(16)14(2)12(15(3)11(13)17)9-7-5-4-6-8-9/h4-8H,1-3H3
InChIKey
SDERIOGEXNGHMX-UHFFFAOYSA-N
Compound name
1,3,5-trimethyl-2-phenyl-1,3,5,2-triazaborinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1179 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.12518 151.9
[M+Na]+ 254.10712 161.7
[M-H]- 230.11062 155.0
[M+NH4]+ 249.15172 166.4
[M+K]+ 270.08106 158.2
[M+H-H2O]+ 214.11516 143.1
[M+HCOO]- 276.11610 169.4
[M+CH3COO]- 290.13175 193.0
[M+Na-2H]- 252.09257 154.6
[M]+ 231.11735 150.9
[M]- 231.11845 150.9
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

No patent data available for this compound.