CID 3066859

296 hc

Structural Information

Molecular Formula
C20H42N4O2
SMILES
CC[N+]1(CCOCC1)CCN2CCN(CC2)CC[N+]3(CCOCC3)CC
InChI
InChI=1S/C20H42N4O2/c1-3-23(13-17-25-18-14-23)11-9-21-5-7-22(8-6-21)10-12-24(4-2)15-19-26-20-16-24/h3-20H2,1-2H3/q+2
InChIKey
DRKLCWSYHGBGCT-UHFFFAOYSA-N
Compound name
4-ethyl-4-[2-[4-[2-(4-ethylmorpholin-4-ium-4-yl)ethyl]piperazin-1-yl]ethyl]morpholin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.33078 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.33806 194.2
[M+Na]+ 393.32000 192.4
[M-H]- 369.32350 196.1
[M+NH4]+ 388.36460 200.4
[M+K]+ 409.29394 180.7
[M+H-H2O]+ 353.32804 186.1
[M+HCOO]- 415.32898 197.0
[M+CH3COO]- 429.34463 202.5
[M+Na-2H]- 391.30545 199.2
[M]+ 370.33023 183.4
[M]- 370.33133 183.4
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.