CID 496654

Nsc696552

Structural Information

Molecular Formula
C22H38N2O7Si2
SMILES
CC(C)[Si]1(OCC2C(C3C(O2)(N4C=CC(=O)N=C4O3)CO)O[Si](O1)(C(C)C)C(C)C)C(C)C
InChI
InChI=1S/C22H38N2O7Si2/c1-13(2)32(14(3)4)27-11-17-19(30-33(31-32,15(5)6)16(7)8)20-22(12-25,29-17)24-10-9-18(26)23-21(24)28-20/h9-10,13-17,19-20,25H,11-12H2,1-8H3
InChIKey
YPGWLSDQTPCAJF-UHFFFAOYSA-N
Compound name
11-(hydroxymethyl)-4,4,6,6-tetra(propan-2-yl)-3,5,7,10,18-pentaoxa-12,16-diaza-4,6-disilatetracyclo[9.7.0.02,9.012,17]octadeca-13,16-dien-15-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

498.22174 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 499.22902 221.9
[M+Na]+ 521.21096 225.8
[M-H]- 497.21446 223.6
[M+NH4]+ 516.25556 226.1
[M+K]+ 537.18490 227.4
[M+H-H2O]+ 481.21900 218.1
[M+HCOO]- 543.21994 221.4
[M+CH3COO]- 557.23559 245.9
[M+Na-2H]- 519.19641 214.8
[M]+ 498.22119 224.0
[M]- 498.22229 224.0
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.