CID 3063893

101831-43-0

Structural Information

Molecular Formula
C23H38N2O4
SMILES
C[N+]1(CCOCC1)CCOCCOC(=O)C(C2=CC=CC=C2)[N+]3(CCCCC3)C
InChI
InChI=1S/C23H38N2O4/c1-24(13-16-27-17-14-24)15-18-28-19-20-29-23(26)22(21-9-5-3-6-10-21)25(2)11-7-4-8-12-25/h3,5-6,9-10,22H,4,7-8,11-20H2,1-2H3/q+2
InChIKey
CJKZBKILKQYVTL-UHFFFAOYSA-N
Compound name
2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl 2-(1-methylpiperidin-1-ium-1-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

406.28317 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.29045 199.9
[M+Na]+ 429.27239 213.0
[M+NH4]+ 424.31699 210.6
[M+K]+ 445.24633 203.8
[M-H]- 405.27589 207.8
[M+Na-2H]- 427.25784 209.1
[M]+ 406.28262 204.9
[M]- 406.28372 204.9
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.