CID 78171

4-morpholinoacetoacetanilide

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CC(=O)CC(=O)NC1=CC=C(C=C1)N2CCOCC2
InChI
InChI=1S/C14H18N2O3/c1-11(17)10-14(18)15-12-2-4-13(5-3-12)16-6-8-19-9-7-16/h2-5H,6-10H2,1H3,(H,15,18)
InChIKey
GJWXWJLLFSYCIB-UHFFFAOYSA-N
Compound name
N-(4-morpholin-4-ylphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

262.13174 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13902 161.0
[M+Na]+ 285.12096 164.6
[M-H]- 261.12446 165.9
[M+NH4]+ 280.16556 173.9
[M+K]+ 301.09490 163.5
[M+H-H2O]+ 245.12900 152.2
[M+HCOO]- 307.12994 178.9
[M+CH3COO]- 321.14559 197.5
[M+Na-2H]- 283.10641 164.2
[M]+ 262.13119 158.1
[M]- 262.13229 158.1
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