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 203.9
[M+Na]+ 429.27239 202.2
[M-H]- 405.27589 208.4
[M+NH4]+ 424.31699 212.2
[M+K]+ 445.24633 189.9
[M+H-H2O]+ 389.28043 197.6
[M+HCOO]- 451.28137 211.9
[M+CH3COO]- 465.29702 206.7
[M+Na-2H]- 427.25784 208.4
[M]+ 406.28262 197.0
[M]- 406.28372 197.0
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.