CID 494873

Nsc634206

Structural Information

Molecular Formula
C25H35NO3Si
SMILES
CC1=C(C2CC1C3C2C(=O)N(C3=O)C4=CC=CC=C4)O[Si](C(C)C)(C(C)C)C(C)C
InChI
InChI=1S/C25H35NO3Si/c1-14(2)30(15(3)4,16(5)6)29-23-17(7)19-13-20(23)22-21(19)24(27)26(25(22)28)18-11-9-8-10-12-18/h8-12,14-16,19-22H,13H2,1-7H3
InChIKey
DEJYILXTRFAJBW-UHFFFAOYSA-N
Compound name
8-methyl-4-phenyl-9-tri(propan-2-yl)silyloxy-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.23862 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.24590 209.4
[M+Na]+ 448.22784 214.7
[M-H]- 424.23134 215.4
[M+NH4]+ 443.27244 227.0
[M+K]+ 464.20178 211.0
[M+H-H2O]+ 408.23588 205.3
[M+HCOO]- 470.23682 221.6
[M+CH3COO]- 484.25247 232.5
[M+Na-2H]- 446.21329 201.0
[M]+ 425.23807 213.6
[M]- 425.23917 213.6
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.