CID 3063895

101831-44-1

Structural Information

Molecular Formula
C23H36N2O4
SMILES
C[N+]1(CCOCC1)CCOCCOC(=O)C(C2=CC=CC=C2)[N+]3(CCC=CC3)C
InChI
InChI=1S/C23H36N2O4/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/h3-7,9-10,22H,8,11-20H2,1-2H3/q+2
InChIKey
ZTIMHIQAYYLTRJ-UHFFFAOYSA-N
Compound name
2-[2-(4-methylmorpholin-4-ium-4-yl)ethoxy]ethyl 2-(1-methyl-3,6-dihydro-2H-pyridin-1-ium-1-yl)-2-phenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.26752 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.27480 198.4
[M+Na]+ 427.25674 212.5
[M+NH4]+ 422.30134 209.2
[M+K]+ 443.23068 203.1
[M-H]- 403.26024 206.6
[M+Na-2H]- 425.24219 208.5
[M]+ 404.26697 203.7
[M]- 404.26807 203.7
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.