CID 390764

Nsc688527

Structural Information

Molecular Formula
C28H60B4N4
SMILES
[B-]1(=[N+]([B-]2(C1=[N+]([B-]3(C(=[N+]2C)[B-](=[N+]3C(C)(C)C)C(C)(C)C)C(C)(C)C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C28H60B4N4/c1-23(2,3)29-21-31(25(7,8)9,35(29)27(13,14)15)34(20)22-30(24(4,5)6)36(28(16,17)18)32(22,33(21)19)26(10,11)12/h1-20H3
InChIKey
ZABLYWUKNDGFKK-UHFFFAOYSA-N
Compound name
1,4,5,6,9,10-hexatert-butyl-2,7-dimethyl-2,5,7,10-tetrazonia-1,4,6,9-tetraboranuidatricyclo[6.2.0.03,6]deca-2,4,7,9-tetraene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.519 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.52628 227.3
[M+Na]+ 519.50822 227.9
[M-H]- 495.51172 227.3
[M+NH4]+ 514.55282 227.9
[M+K]+ 535.48216 228.8
[M+H-H2O]+ 479.51626 227.4
[M+HCOO]- 541.51720 229.2
[M+CH3COO]- 555.53285 227.3
[M+Na-2H]- 517.49367 230.4
[M]+ 496.51845 227.8
[M]- 496.51955 227.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.