CID 496621

Nsc695228

Structural Information

Molecular Formula
C23H38Cl3NO4Si
SMILES
CC(C)[Si](C(C)C)(C(C)C)OC12CCC(CC1NC(=O)OCC(Cl)(Cl)Cl)C(C2=O)CC=C
InChI
InChI=1S/C23H38Cl3NO4Si/c1-8-9-18-17-10-11-22(20(18)28,31-32(14(2)3,15(4)5)16(6)7)19(12-17)27-21(29)30-13-23(24,25)26/h8,14-19H,1,9-13H2,2-7H3,(H,27,29)
InChIKey
XIGYJVAPBLQYPP-UHFFFAOYSA-N
Compound name
2,2,2-trichloroethyl N-[6-oxo-5-prop-2-enyl-1-tri(propan-2-yl)silyloxy-2-bicyclo[2.2.2]octanyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

525.1636 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 526.17088 223.9
[M+Na]+ 548.15282 225.3
[M-H]- 524.15632 217.9
[M+NH4]+ 543.19742 238.5
[M+K]+ 564.12676 221.2
[M+H-H2O]+ 508.16086 224.1
[M+HCOO]- 570.16180 212.8
[M+CH3COO]- 584.17745 246.5
[M+Na-2H]- 546.13827 224.8
[M]+ 525.16305 232.3
[M]- 525.16415 232.3
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.