CID 3091

Dimorpholamine

Structural Information

Molecular Formula
C20H38N4O4
SMILES
CCCCN(CCN(CCCC)C(=O)N1CCOCC1)C(=O)N2CCOCC2
InChI
InChI=1S/C20H38N4O4/c1-3-5-7-21(19(25)23-11-15-27-16-12-23)9-10-22(8-6-4-2)20(26)24-13-17-28-18-14-24/h3-18H2,1-2H3
InChIKey
HZTMGWSBSDLALI-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-[butyl(morpholine-4-carbonyl)amino]ethyl]morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

14
References

818
Patents

398.2893 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.29658 204.5
[M+Na]+ 421.27852 201.1
[M-H]- 397.28202 208.7
[M+NH4]+ 416.32312 209.5
[M+K]+ 437.25246 203.3
[M+H-H2O]+ 381.28656 192.8
[M+HCOO]- 443.28750 215.9
[M+CH3COO]- 457.30315 230.4
[M+Na-2H]- 419.26397 202.1
[M]+ 398.28875 203.1
[M]- 398.28985 203.1
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.