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]+ 292.15434 168.6
[M+Na]+ 314.13628 172.0
[M-H]- 290.13978 173.1
[M+NH4]+ 309.18088 180.5
[M+K]+ 330.11022 171.2
[M+H-H2O]+ 274.14432 159.6
[M+HCOO]- 336.14526 184.9
[M+CH3COO]- 350.16091 200.6
[M+Na-2H]- 312.12173 170.4
[M]+ 291.14651 168.5
[M]- 291.14761 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