CID 6445049

19856-72-5

Structural Information

Molecular Formula
C17H21NO5
SMILES
CC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC
InChI
InChI=1S/C17H21NO5/c1-12-11-18(8-9-22-12)17(20)7-5-14-4-6-15(23-13(2)19)16(10-14)21-3/h4-7,10,12H,8-9,11H2,1-3H3/b7-5+
InChIKey
QQVYIGKECIIXSB-FNORWQNLSA-N
Compound name
[2-methoxy-4-[(E)-3-(2-methylmorpholin-4-yl)-3-oxoprop-1-enyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.14197 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.14925 174.2
[M+Na]+ 342.13119 179.4
[M-H]- 318.13469 179.5
[M+NH4]+ 337.17579 185.6
[M+K]+ 358.10513 178.5
[M+H-H2O]+ 302.13923 165.5
[M+HCOO]- 364.14017 190.6
[M+CH3COO]- 378.15582 206.2
[M+Na-2H]- 340.11664 174.3
[M]+ 319.14142 176.0
[M]- 319.14252 176.0
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.