CID 3051907

4-morpholinecarboxamide, n-(2-(4-morpholinyl)ethyl)-n-(3,4,5-trimethoxyphenyl)-, monohydrochloride

Structural Information

Molecular Formula
C20H31N3O6
SMILES
COC1=CC(=CC(=C1OC)OC)N(CCN2CCOCC2)C(=O)N3CCOCC3
InChI
InChI=1S/C20H31N3O6/c1-25-17-14-16(15-18(26-2)19(17)27-3)23(5-4-21-6-10-28-11-7-21)20(24)22-8-12-29-13-9-22/h14-15H,4-13H2,1-3H3
InChIKey
KISJLJRVMZHMRZ-UHFFFAOYSA-N
Compound name
N-(2-morpholin-4-ylethyl)-N-(3,4,5-trimethoxyphenyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.22128 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.22856 199.7
[M+Na]+ 432.21050 200.4
[M-H]- 408.21400 207.2
[M+NH4]+ 427.25510 204.0
[M+K]+ 448.18444 202.3
[M+H-H2O]+ 392.21854 187.6
[M+HCOO]- 454.21948 211.9
[M+CH3COO]- 468.23513 227.3
[M+Na-2H]- 430.19595 199.2
[M]+ 409.22073 200.5
[M]- 409.22183 200.5
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.