CID 3023239

Sch 1505

Structural Information

Molecular Formula
C18H28N2O3
SMILES
CC(C)(C(=O)NCCN(C)C)OC1=C(C=C(C=C1)CC=C)OC
InChI
InChI=1S/C18H28N2O3/c1-7-8-14-9-10-15(16(13-14)22-6)23-18(2,3)17(21)19-11-12-20(4)5/h7,9-10,13H,1,8,11-12H2,2-6H3,(H,19,21)
InChIKey
JSHGPSPCRYXWPN-UHFFFAOYSA-N
Compound name
N-[2-(dimethylamino)ethyl]-2-(2-methoxy-4-prop-2-enylphenoxy)-2-methylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.21 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.217276 179.4
[M+Na]+ 343.199218 183.8
[M-H]- 319.202724 183.8
[M+NH4]+ 338.243823 194.1
[M+K]+ 359.173158 182.7
[M+H-H2O]+ 303.207260 171.9
[M+HCOO]- 365.208201 202.0
[M+CH3COO]- 379.223851 219.0
[M+Na-2H]- 341.184666 181.1
[M]+ 320.20945142 184.8
[M]- 320.21054858 184.8
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.