CID 10089

Phenadoxone

Structural Information

Molecular Formula
C23H29NO2
SMILES
CCC(=O)C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO2/c1-3-22(25)23(20-10-6-4-7-11-20,21-12-8-5-9-13-21)18-19(2)24-14-16-26-17-15-24/h4-13,19H,3,14-18H2,1-2H3
InChIKey
LOXCOAXRHYDLOW-UHFFFAOYSA-N
Compound name
6-morpholin-4-yl-4,4-diphenylheptan-3-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

8330
Patents

351.21982 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.22710 188.0
[M+Na]+ 374.20904 200.5
[M+NH4]+ 369.25364 195.3
[M+K]+ 390.18298 193.2
[M-H]- 350.21254 194.3
[M+Na-2H]- 372.19449 196.2
[M]+ 351.21927 191.6
[M]- 351.22037 191.6
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

patents stripe