CID 3075747

1,2,3,4-tetrahydro-3-(4-(ethoxycarbonyl)phenyl)-1,1,3-trimethyl-3,1-benzazasilinium iodide

Structural Information

Molecular Formula
C20H26NO2Si
SMILES
CCOC(=O)C1=CC=C(C=C1)[N+]2(CC3=CC=CC=C3[Si](C2)(C)C)C
InChI
InChI=1S/C20H26NO2Si/c1-5-23-20(22)16-10-12-18(13-11-16)21(2)14-17-8-6-7-9-19(17)24(3,4)15-21/h6-13H,5,14-15H2,1-4H3/q+1
InChIKey
QJAJBOCICCZXDB-UHFFFAOYSA-N
Compound name
ethyl 4-(1,1,3-trimethyl-2,4-dihydro-3,1-benzazasilin-3-ium-3-yl)benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.17328 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.18056 178.8
[M+Na]+ 363.16250 195.5
[M+NH4]+ 358.20710 191.4
[M+K]+ 379.13644 183.5
[M-H]- 339.16600 185.3
[M+Na-2H]- 361.14795 190.0
[M]+ 340.17273 184.0
[M]- 340.17383 184.0
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.