CID 120502

4-morpholinebutanol, alpha,alpha-diphenyl-

Structural Information

Molecular Formula
C20H25NO2
SMILES
C1COCCN1CCCC(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C20H25NO2/c22-20(18-8-3-1-4-9-18,19-10-5-2-6-11-19)12-7-13-21-14-16-23-17-15-21/h1-6,8-11,22H,7,12-17H2
InChIKey
GQGFTFMNGMPNKG-UHFFFAOYSA-N
Compound name
4-morpholin-4-yl-1,1-diphenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.18854 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 175.5
[M+Na]+ 334.17776 177.6
[M-H]- 310.18126 181.2
[M+NH4]+ 329.22236 185.4
[M+K]+ 350.15170 173.8
[M+H-H2O]+ 294.18580 165.6
[M+HCOO]- 356.18674 189.9
[M+CH3COO]- 370.20239 201.6
[M+Na-2H]- 332.16321 180.8
[M]+ 311.18799 171.1
[M]- 311.18909 171.1
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.