CID 55544

86746-02-3

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CC1=CC(=C(C(=C1)C)OCC(=O)NCCCN2CCOCC2)C
InChI
InChI=1S/C18H28N2O3/c1-14-11-15(2)18(16(3)12-14)23-13-17(21)19-5-4-6-20-7-9-22-10-8-20/h11-12H,4-10,13H2,1-3H3,(H,19,21)
InChIKey
SNKYGYKTKPGOCQ-UHFFFAOYSA-N
Compound name
N-(3-morpholin-4-ylpropyl)-2-(2,4,6-trimethylphenoxy)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 180.6
[M+Na]+ 343.19922 184.2
[M-H]- 319.20272 185.3
[M+NH4]+ 338.24382 191.8
[M+K]+ 359.17316 182.4
[M+H-H2O]+ 303.20726 171.2
[M+HCOO]- 365.20820 197.8
[M+CH3COO]- 379.22385 211.8
[M+Na-2H]- 341.18467 181.3
[M]+ 320.20945 181.2
[M]- 320.21055 181.2
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

patents stripe