CID 49624

4,4-diphenyl-5-methyl-6-morpholino-3-hexanone hydrochloride

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCC(=O)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN3CCOCC3
InChI
InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)19(2)18-24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
InChIKey
JKELWZXAVUOKIQ-UHFFFAOYSA-N
Compound name
5-methyl-6-morpholin-4-yl-4,4-diphenylhexan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

351.21982 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 187.5
[M+Na]+ 374.20904 188.4
[M-H]- 350.21254 194.1
[M+NH4]+ 369.25364 196.2
[M+K]+ 390.18298 185.3
[M+H-H2O]+ 334.21708 177.1
[M+HCOO]- 396.21802 200.5
[M+CH3COO]- 410.23367 213.8
[M+Na-2H]- 372.19449 189.4
[M]+ 351.21927 184.0
[M]- 351.22037 184.0
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