CID 6445050

Brn 4734760

Structural Information

Molecular Formula
C18H23NO5
SMILES
CCC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C=C2)OC(=O)C)OC
InChI
InChI=1S/C18H23NO5/c1-4-15-12-19(9-10-23-15)18(21)8-6-14-5-7-16(24-13(2)20)17(11-14)22-3/h5-8,11,15H,4,9-10,12H2,1-3H3/b8-6+
InChIKey
JIFCUHLDAWXNNS-SOFGYWHQSA-N
Compound name
[4-[(E)-3-(2-ethylmorpholin-4-yl)-3-oxoprop-1-enyl]-2-methoxyphenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.15762 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16490 178.8
[M+Na]+ 356.14684 183.6
[M-H]- 332.15034 183.9
[M+NH4]+ 351.19144 189.7
[M+K]+ 372.12078 182.4
[M+H-H2O]+ 316.15488 170.0
[M+HCOO]- 378.15582 194.9
[M+CH3COO]- 392.17147 209.2
[M+Na-2H]- 354.13229 178.4
[M]+ 333.15707 181.0
[M]- 333.15817 181.0
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.