CID 496170

Nsc680834

Structural Information

Molecular Formula
C28H46N2O7Si2
SMILES
CC(C)[Si]1(OCC2C(CC(O2)N3C(CC(=O)NC3=O)C(C4=CC=CC=C4)O)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C28H46N2O7Si2/c1-17(2)38(18(3)4)34-16-24-23(36-39(37-38,19(5)6)20(7)8)15-26(35-24)30-22(14-25(31)29-28(30)33)27(32)21-12-10-9-11-13-21/h9-13,17-20,22-24,26-27,32H,14-16H2,1-8H3,(H,29,31,33)
InChIKey
LCVKRPARHSQQEA-UHFFFAOYSA-N
Compound name
6-[hydroxy(phenyl)methyl]-1-[2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.28436 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.29164 220.2
[M+Na]+ 601.27358 221.7
[M-H]- 577.27708 222.6
[M+NH4]+ 596.31818 220.7
[M+K]+ 617.24752 223.0
[M+H-H2O]+ 561.28162 215.2
[M+HCOO]- 623.28256 218.2
[M+CH3COO]- 637.29821 252.3
[M+Na-2H]- 599.25903 211.2
[M]+ 578.28381 218.9
[M]- 578.28491 218.9
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.