CID 455235

Tsao-benzimid

Structural Information

Molecular Formula
C26H43N3O6SSi2
SMILES
CC(C)(C)[Si](C)(C)OC[C@@H]1C2([C@H]([C@@H](O1)N3C=NC4=CC=CC=C43)O[Si](C)(C)C(C)(C)C)C(=CS(=O)(=O)O2)N
InChI
InChI=1S/C26H43N3O6SSi2/c1-24(2,3)37(7,8)32-15-21-26(20(27)16-36(30,31)35-26)22(34-38(9,10)25(4,5)6)23(33-21)29-17-28-18-13-11-12-14-19(18)29/h11-14,16-17,21-23H,15,27H2,1-10H3/t21-,22+,23-,26?/m1/s1
InChIKey
XMDXSDCQZSNIAY-ZZOOTDKOSA-N
Compound name
(6R,8R,9R)-8-(benzimidazol-1-yl)-9-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]-2,2-dioxo-1,7-dioxa-2lambda6-thiaspiro[4.4]non-3-en-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

581.2411 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 582.24838 231.4
[M+Na]+ 604.23032 238.4
[M-H]- 580.23382 240.2
[M+NH4]+ 599.27492 242.4
[M+K]+ 620.20426 239.8
[M+H-H2O]+ 564.23836 230.0
[M+HCOO]- 626.23930 238.3
[M+CH3COO]- 640.25495 248.5
[M+Na-2H]- 602.21577 236.3
[M]+ 581.24055 242.7
[M]- 581.24165 242.7
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.