CID 9571474

Nsc669969

Structural Information

Molecular Formula
C17H38B2N4
SMILES
[B-]1(=[N+]([N+](=[B-](N1/N=C/C(C)(C)C)C(C)(C)C)CC)CC)C(C)(C)C
InChI
InChI=1S/C17H38B2N4/c1-12-21-18(16(6,7)8)23(20-14-15(3,4)5)19(17(9,10)11)22(21)13-2/h14H,12-13H2,1-11H3/b20-14+
InChIKey
RZJRGSAHLBDOJZ-XSFVSMFZSA-N
Compound name
(E)-N-(3,5-ditert-butyl-1,2-diethyl-4-aza-1,2-diazonia-3,5-diboranuidacyclopenta-2,5-dien-4-yl)-2,2-dimethylpropan-1-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.32825 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.33553 186.8
[M+Na]+ 343.31747 194.0
[M-H]- 319.32097 186.5
[M+NH4]+ 338.36207 199.5
[M+K]+ 359.29141 180.8
[M+H-H2O]+ 303.32551 189.9
[M+HCOO]- 365.32645 200.9
[M+CH3COO]- 379.34210 200.0
[M+Na-2H]- 341.30292 194.3
[M]+ 320.32770 184.1
[M]- 320.32880 184.1
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.