CID 44682

3-hexanol, 4,4-diphenyl-6-morpholino-, hydrochloride

Structural Information

Molecular Formula
C22H29NO2
SMILES
CCC(C(CCN1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)O
InChI
InChI=1S/C22H29NO2/c1-2-21(24)22(19-9-5-3-6-10-19,20-11-7-4-8-12-20)13-14-23-15-17-25-18-16-23/h3-12,21,24H,2,13-18H2,1H3
InChIKey
DAMOVGWHZOHSMS-UHFFFAOYSA-N
Compound name
6-morpholin-4-yl-4,4-diphenylhexan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.22710 184.3
[M+Na]+ 362.20904 185.2
[M-H]- 338.21254 189.7
[M+NH4]+ 357.25364 193.0
[M+K]+ 378.18298 181.5
[M+H-H2O]+ 322.21708 174.2
[M+HCOO]- 384.21802 197.0
[M+CH3COO]- 398.23367 208.3
[M+Na-2H]- 360.19449 187.5
[M]+ 339.21927 180.0
[M]- 339.22037 180.0
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

No patent data available for this compound.