CID 53754

C 2085

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CC1=CC(=C(C(=C1)C)OCCN(C)C(=O)CN2CCOCC2)C
InChI
InChI=1S/C18H28N2O3/c1-14-11-15(2)18(16(3)12-14)23-10-5-19(4)17(21)13-20-6-8-22-9-7-20/h11-12H,5-10,13H2,1-4H3
InChIKey
XMMPQQMNFVBPKV-UHFFFAOYSA-N
Compound name
N-methyl-2-morpholin-4-yl-N-[2-(2,4,6-trimethylphenoxy)ethyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.21728 180.2
[M+Na]+ 343.19922 184.1
[M-H]- 319.20272 186.5
[M+NH4]+ 338.24382 192.2
[M+K]+ 359.17316 183.6
[M+H-H2O]+ 303.20726 170.8
[M+HCOO]- 365.20820 198.0
[M+CH3COO]- 379.22385 215.2
[M+Na-2H]- 341.18467 180.3
[M]+ 320.20945 182.1
[M]- 320.21055 182.1
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.