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
1
Annotation Hits

14
References

772
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

literature stripe

Patent stripe

patents stripe