CID 24840364

88514-28-7

Structural Information

Molecular Formula
C19H36N4O4
SMILES
C[N+]1(CCOCC1)CCC(=O)N2CCN(CC2)C(=O)C[N+]3(CCOCC3)C
InChI
InChI=1S/C19H36N4O4/c1-22(9-13-26-14-10-22)8-3-18(24)20-4-6-21(7-5-20)19(25)17-23(2)11-15-27-16-12-23/h3-17H2,1-2H3/q+2
InChIKey
PZOJDXWKESHOTA-UHFFFAOYSA-N
Compound name
3-(4-methylmorpholin-4-ium-4-yl)-1-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]piperazin-1-yl]propan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.27365 Da
Monoisotopic Mass

-1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.28093 193.3
[M+Na]+ 407.26287 192.0
[M-H]- 383.26637 195.8
[M+NH4]+ 402.30747 198.7
[M+K]+ 423.23681 181.4
[M+H-H2O]+ 367.27091 186.4
[M+HCOO]- 429.27185 195.3
[M+CH3COO]- 443.28750 201.8
[M+Na-2H]- 405.24832 197.6
[M]+ 384.27310 182.3
[M]- 384.27420 182.3
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.