CID 499492

Nsc681433

Structural Information

Molecular Formula
C26H38NSSi2
SMILES
C[Si](C)(C)[C]1[CH][CH][C]([C]1[Si](C)(C)C)CCN(CCC2=CSC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C26H38NSSi2/c1-29(2,3)25-13-12-24(26(25)30(4,5)6)15-18-27(17-14-23-16-19-28-21-23)20-22-10-8-7-9-11-22/h7-13,16,19,21H,14-15,17-18,20H2,1-6H3
InChIKey
KBUARFDNTCIJPN-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.22635 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.23363 215.4
[M+Na]+ 475.21557 217.5
[M-H]- 451.21907 225.0
[M+NH4]+ 470.26017 230.0
[M+K]+ 491.18951 212.7
[M+H-H2O]+ 435.22361 207.6
[M+HCOO]- 497.22455 228.6
[M+CH3COO]- 511.24020 234.9
[M+Na-2H]- 473.20102 209.3
[M]+ 452.22580 218.6
[M]- 452.22690 218.6
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.