CID 95378

5455-91-4

Structural Information

Molecular Formula
C18H26N2O3
SMILES
CC(=O)C(C(C1=CC=CC=C1)N2CCOCC2)N3CCOCC3
InChI
InChI=1S/C18H26N2O3/c1-15(21)17(19-7-11-22-12-8-19)18(16-5-3-2-4-6-16)20-9-13-23-14-10-20/h2-6,17-18H,7-14H2,1H3
InChIKey
VXZFZOFWTCDDNB-UHFFFAOYSA-N
Compound name
3,4-dimorpholin-4-yl-4-phenylbutan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

318.19434 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.20162 177.9
[M+Na]+ 341.18356 177.2
[M-H]- 317.18706 183.2
[M+NH4]+ 336.22816 184.7
[M+K]+ 357.15750 177.1
[M+H-H2O]+ 301.19160 166.8
[M+HCOO]- 363.19254 186.7
[M+CH3COO]- 377.20819 205.8
[M+Na-2H]- 339.16901 177.9
[M]+ 318.19379 170.9
[M]- 318.19489 170.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.