CID 6444744

16562-72-4

Structural Information

Molecular Formula
C16H19NO5
SMILES
CC(=O)OC1=C(C=C(C=C1)/C=C/C(=O)N2CCOCC2)OC
InChI
InChI=1S/C16H19NO5/c1-12(18)22-14-5-3-13(11-15(14)20-2)4-6-16(19)17-7-9-21-10-8-17/h3-6,11H,7-10H2,1-2H3/b6-4+
InChIKey
NLDFRYFDOLAMCA-GQCTYLIASA-N
Compound name
[2-methoxy-4-[(E)-3-morpholin-4-yl-3-oxoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

305.1263 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.13358 170.0
[M+Na]+ 328.11552 174.7
[M-H]- 304.11902 175.1
[M+NH4]+ 323.16012 181.7
[M+K]+ 344.08946 174.0
[M+H-H2O]+ 288.12356 161.3
[M+HCOO]- 350.12450 186.8
[M+CH3COO]- 364.14015 201.9
[M+Na-2H]- 326.10097 171.3
[M]+ 305.12575 171.0
[M]- 305.12685 171.0
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.