CID 456405

Silanediol i

Structural Information

Molecular Formula
C26H34N2O6Si
SMILES
C[C@H](C[Si](C[C@@H](C)C(=O)N[C@H]1CC2=CC=CC=C2[C@H]1O)(O)O)C(=O)N[C@H]3CC4=CC=CC=C4[C@H]3O
InChI
InChI=1S/C26H34N2O6Si/c1-15(25(31)27-21-11-17-7-3-5-9-19(17)23(21)29)13-35(33,34)14-16(2)26(32)28-22-12-18-8-4-6-10-20(18)24(22)30/h3-10,15-16,21-24,29-30,33-34H,11-14H2,1-2H3,(H,27,31)(H,28,32)/t15-,16-,21+,22+,23-,24-/m1/s1
InChIKey
LXIHDFJETWXVKT-RTGXNSGSSA-N
Compound name
(2S)-3-[dihydroxy-[(2S)-3-[[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]amino]-2-methyl-3-oxopropyl]silyl]-N-[(1R,2S)-1-hydroxy-2,3-dihydro-1H-inden-2-yl]-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.21863 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22591 214.1
[M+Na]+ 521.20785 213.2
[M-H]- 497.21135 216.3
[M+NH4]+ 516.25245 223.0
[M+K]+ 537.18179 210.5
[M+H-H2O]+ 481.21589 208.7
[M+HCOO]- 543.21683 223.7
[M+CH3COO]- 557.23248 237.5
[M+Na-2H]- 519.19330 209.9
[M]+ 498.21808 211.2
[M]- 498.21918 211.2
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.