CID 9571473

Nsc669968

Structural Information

Molecular Formula
C18H40B2N4
SMILES
[B-]1(=[N+]([N+](=[B-](N1/N=C(\C)/C(C)(C)C)C(C)(C)C)CC)CC)C(C)(C)C
InChI
InChI=1S/C18H40B2N4/c1-13-22-19(17(7,8)9)24(21-15(3)16(4,5)6)20(18(10,11)12)23(22)14-2/h13-14H2,1-12H3/b21-15+
InChIKey
OQXXDESMURDJMQ-RCCKNPSSSA-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)-3,3-dimethylbutan-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.3439 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.35118 188.8
[M+Na]+ 357.33312 195.4
[M-H]- 333.33662 188.4
[M+NH4]+ 352.37772 200.9
[M+K]+ 373.30706 182.4
[M+H-H2O]+ 317.34116 192.0
[M+HCOO]- 379.34210 201.7
[M+CH3COO]- 393.35775 203.4
[M+Na-2H]- 355.31857 195.0
[M]+ 334.34335 185.9
[M]- 334.34445 185.9
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.