CID 494872

Nsc634204

Structural Information

Molecular Formula
C26H34F3NO6SSi
SMILES
CC1=C(C2CC1(C3C2C(=O)N(C3=O)C4=CC=CC=C4)OS(=O)(=O)C(F)(F)F)O[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C26H34F3NO6SSi/c1-14(2)38(15(3)4,16(5)6)35-22-17(7)25(36-37(33,34)26(27,28)29)13-19(22)20-21(25)24(32)30(23(20)31)18-11-9-8-10-12-18/h8-12,14-16,19-21H,13H2,1-7H3
InChIKey
OQNACXWAQNABQA-UHFFFAOYSA-N
Compound name
[9-methyl-3,5-dioxo-4-phenyl-8-tri(propan-2-yl)silyloxy-4-azatricyclo[5.2.1.02,6]dec-8-en-1-yl] trifluoromethanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

573.1828 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 574.19008 232.9
[M+Na]+ 596.17202 238.6
[M-H]- 572.17552 234.9
[M+NH4]+ 591.21662 246.6
[M+K]+ 612.14596 237.1
[M+H-H2O]+ 556.18006 230.0
[M+HCOO]- 618.18100 234.9
[M+CH3COO]- 632.19665 250.4
[M+Na-2H]- 594.15747 229.5
[M]+ 573.18225 239.8
[M]- 573.18335 239.8
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.