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 196.4
[M+Na]+ 421.27852 194.4
[M-H]- 397.28202 198.8
[M+NH4]+ 416.32312 201.1
[M+K]+ 437.25246 184.1
[M+H-H2O]+ 381.28656 189.7
[M+HCOO]- 443.28750 197.1
[M+CH3COO]- 457.30315 205.4
[M+Na-2H]- 419.26397 199.3
[M]+ 398.28875 185.1
[M]- 398.28985 185.1
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

No patent data available for this compound.