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]+ 308.149246 171.5
[M+Na]+ 330.131188 177.5
[M-H]- 306.134694 175.8
[M+NH4]+ 325.175793 183.1
[M+K]+ 346.105128 176.1
[M+H-H2O]+ 290.139230 163.2
[M+HCOO]- 352.140171 187.5
[M+CH3COO]- 366.155821 202.6
[M+Na-2H]- 328.116636 172.1
[M]+ 307.14142142 172.9
[M]- 307.14251858 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.