CID 3051885

68060-99-1

Structural Information

Molecular Formula
C15H22N2O5
SMILES
CC1CN(CCO1)C(=O)NC2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C15H22N2O5/c1-10-9-17(5-6-22-10)15(18)16-11-7-12(19-2)14(21-4)13(8-11)20-3/h7-8,10H,5-6,9H2,1-4H3,(H,16,18)
InChIKey
AAUXNXVOJYEDDR-UHFFFAOYSA-N
Compound name
2-methyl-N-(3,4,5-trimethoxyphenyl)morpholine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.15286 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.16014 172.3
[M+Na]+ 333.14208 178.0
[M-H]- 309.14558 178.1
[M+NH4]+ 328.18668 184.2
[M+K]+ 349.11602 178.2
[M+H-H2O]+ 293.15012 163.5
[M+HCOO]- 355.15106 191.0
[M+CH3COO]- 369.16671 207.9
[M+Na-2H]- 331.12753 174.3
[M]+ 310.15231 175.2
[M]- 310.15341 175.2
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.