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]+ 292.15434 169.1
[M+Na]+ 314.13628 174.4
[M-H]- 290.13978 173.1
[M+NH4]+ 309.18088 181.2
[M+K]+ 330.11022 172.2
[M+H-H2O]+ 274.14432 160.8
[M+HCOO]- 336.14526 185.0
[M+CH3COO]- 350.16091 199.1
[M+Na-2H]- 312.12173 170.2
[M]+ 291.14651 168.6
[M]- 291.14761 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.