CID 6444742

16562-70-2

Structural Information

Molecular Formula
C16H21NO4
SMILES
CCC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)O)OC
InChI
InChI=1S/C16H21NO4/c1-3-13-11-17(8-9-21-13)16(19)7-5-12-4-6-14(18)15(10-12)20-2/h4-7,10,13,18H,3,8-9,11H2,1-2H3/b7-5+
InChIKey
KXYLSMLCIXWDPY-FNORWQNLSA-N
Compound name
(E)-1-(2-ethylmorpholin-4-yl)-3-(4-hydroxy-3-methoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 169.1
[M+Na]+ 314.136278 174.4
[M-H]- 290.139784 173.1
[M+NH4]+ 309.180883 181.2
[M+K]+ 330.110218 172.2
[M+H-H2O]+ 274.144320 160.8
[M+HCOO]- 336.145261 185.0
[M+CH3COO]- 350.160911 199.1
[M+Na-2H]- 312.121726 170.2
[M]+ 291.14651142 168.6
[M]- 291.14760858 168.6
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.