CID 24840362

88514-30-1

Structural Information

Molecular Formula
C20H38N4O4
SMILES
CC(C(=O)N1CCN(CC1)C(=O)CC[N+]2(CCOCC2)C)[N+]3(CCOCC3)C
InChI
InChI=1S/C20H38N4O4/c1-18(24(3)12-16-28-17-13-24)20(26)22-7-5-21(6-8-22)19(25)4-9-23(2)10-14-27-15-11-23/h18H,4-17H2,1-3H3/q+2
InChIKey
BGMMYERDNJFJHI-UHFFFAOYSA-N
Compound name
2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[3-(4-methylmorpholin-4-ium-4-yl)propanoyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

398.2893 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.29658 195.5
[M+Na]+ 421.27852 206.4
[M+NH4]+ 416.32312 204.3
[M+K]+ 437.25246 200.4
[M-H]- 397.28202 202.1
[M+Na-2H]- 419.26397 200.9
[M]+ 398.28875 199.5
[M]- 398.28985 199.5
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.