CID 3043689

Brn 1009383

Structural Information

Molecular Formula
C16H21NO4
SMILES
COC1=CC=C(C=C1)C(=O)CCCC(=O)N2CCOCC2
InChI
InChI=1S/C16H21NO4/c1-20-14-7-5-13(6-8-14)15(18)3-2-4-16(19)17-9-11-21-12-10-17/h5-8H,2-4,9-12H2,1H3
InChIKey
LIBIEDGOSAXTQJ-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-5-morpholin-4-ylpentane-1,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

291.14706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.154336 168.6
[M+Na]+ 314.136278 172.0
[M-H]- 290.139784 173.1
[M+NH4]+ 309.180883 180.5
[M+K]+ 330.110218 171.2
[M+H-H2O]+ 274.144320 159.6
[M+HCOO]- 336.145261 184.9
[M+CH3COO]- 350.160911 200.6
[M+Na-2H]- 312.121726 170.4
[M]+ 291.14651142 168.5
[M]- 291.14760858 168.5
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

patents stripe