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]+ 319.201616 177.9
[M+Na]+ 341.183558 177.2
[M-H]- 317.187064 183.2
[M+NH4]+ 336.228163 184.7
[M+K]+ 357.157498 177.1
[M+H-H2O]+ 301.191600 166.8
[M+HCOO]- 363.192541 186.7
[M+CH3COO]- 377.208191 205.8
[M+Na-2H]- 339.169006 177.9
[M]+ 318.19379142 170.9
[M]- 318.19488858 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.