CID 3087227

113611-74-8

Structural Information

Molecular Formula
C23H38N2O2Si
SMILES
CC[Si](C)(CC)CCC[N+](C)(C)CCOC(=O)C1=[N+](C2=CC=CC=C2C=C1)C
InChI
InChI=1S/C23H38N2O2Si/c1-7-28(6,8-2)19-11-16-25(4,5)17-18-27-23(26)22-15-14-20-12-9-10-13-21(20)24(22)3/h9-10,12-15H,7-8,11,16-19H2,1-6H3/q+2
InChIKey
PVPZOOHIEXFVTP-UHFFFAOYSA-N
Compound name
3-[diethyl(methyl)silyl]propyl-dimethyl-[2-(1-methylquinolin-1-ium-2-carbonyl)oxyethyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.27026 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.27754 203.2
[M+Na]+ 425.25948 207.0
[M-H]- 401.26298 206.8
[M+NH4]+ 420.30408 214.7
[M+K]+ 441.23342 192.5
[M+H-H2O]+ 385.26752 200.0
[M+HCOO]- 447.26846 218.9
[M+CH3COO]- 461.28411 217.0
[M+Na-2H]- 423.24493 211.7
[M]+ 402.26971 206.7
[M]- 402.27081 206.7
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.