CID 6444743

16562-71-3

Structural Information

Molecular Formula
C16H21NO5
SMILES
CC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)O)OC
InChI
InChI=1S/C16H21NO5/c1-11-10-17(6-7-22-11)15(18)5-4-12-8-13(20-2)16(19)14(9-12)21-3/h4-5,8-9,11,19H,6-7,10H2,1-3H3/b5-4+
InChIKey
MHFGOMQNFJVNKY-SNAWJCMRSA-N
Compound name
(E)-3-(4-hydroxy-3,5-dimethoxyphenyl)-1-(2-methylmorpholin-4-yl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.14197 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.14925 171.5
[M+Na]+ 330.13119 177.5
[M-H]- 306.13469 175.8
[M+NH4]+ 325.17579 183.1
[M+K]+ 346.10513 176.1
[M+H-H2O]+ 290.13923 163.2
[M+HCOO]- 352.14017 187.5
[M+CH3COO]- 366.15582 202.6
[M+Na-2H]- 328.11664 172.1
[M]+ 307.14142 172.9
[M]- 307.14252 172.9
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.