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 181.4
[M+Na]+ 363.16250 188.6
[M-H]- 339.16600 187.5
[M+NH4]+ 358.20710 199.0
[M+K]+ 379.13644 178.6
[M+H-H2O]+ 323.17054 175.1
[M+HCOO]- 385.17148 197.8
[M+CH3COO]- 399.18713 203.2
[M+Na-2H]- 361.14795 187.5
[M]+ 340.17273 180.7
[M]- 340.17383 180.7
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.