CID 3066838

507 hc

Structural Information

Molecular Formula
C18H38N2O4
SMILES
CC[N+]1(CCOCC1)CCOCCOCC[N+]2(CCOCC2)CC
InChI
InChI=1S/C18H38N2O4/c1-3-19(5-11-21-12-6-19)9-15-23-17-18-24-16-10-20(4-2)7-13-22-14-8-20/h3-18H2,1-2H3/q+2
InChIKey
JPILICABYNCQQP-UHFFFAOYSA-N
Compound name
4-ethyl-4-[2-[2-[2-(4-ethylmorpholin-4-ium-4-yl)ethoxy]ethoxy]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.28317 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.29045 185.2
[M+Na]+ 369.27239 185.0
[M-H]- 345.27589 187.7
[M+NH4]+ 364.31699 195.6
[M+K]+ 385.24633 175.0
[M+H-H2O]+ 329.28043 180.9
[M+HCOO]- 391.28137 194.7
[M+CH3COO]- 405.29702 196.8
[M+Na-2H]- 367.25784 193.6
[M]+ 346.28262 182.1
[M]- 346.28372 182.1
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

patents stripe