CID 6437893

Lg 50,160

Structural Information

Molecular Formula
C17H23NO5
SMILES
CC1CN(CCO1)C(=O)/C=C/C2=CC(=C(C(=C2)OC)OC)OC
InChI
InChI=1S/C17H23NO5/c1-12-11-18(7-8-23-12)16(19)6-5-13-9-14(20-2)17(22-4)15(10-13)21-3/h5-6,9-10,12H,7-8,11H2,1-4H3/b6-5+
InChIKey
VHIQIWNMJNROCC-AATRIKPKSA-N
Compound name
(E)-1-(2-methylmorpholin-4-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.15762 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.16490 175.3
[M+Na]+ 344.14684 181.4
[M-H]- 320.15034 180.9
[M+NH4]+ 339.19144 187.1
[M+K]+ 360.12078 180.6
[M+H-H2O]+ 304.15488 166.6
[M+HCOO]- 366.15582 192.5
[M+CH3COO]- 380.17147 207.9
[M+Na-2H]- 342.13229 175.9
[M]+ 321.15707 178.9
[M]- 321.15817 178.9
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.