CID 214067

4-morpholinepropanol, alpha,alpha-diphenyl-beta-((isopentyloxy)methyl)-, hydrochloride

Structural Information

Molecular Formula
C25H35NO3
SMILES
CC(C)CCOCC(CN1CCOCC1)C(C2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C25H35NO3/c1-21(2)13-16-29-20-24(19-26-14-17-28-18-15-26)25(27,22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-12,21,24,27H,13-20H2,1-2H3
InChIKey
AFQJTQADDDSGBH-UHFFFAOYSA-N
Compound name
2-(3-methylbutoxymethyl)-3-morpholin-4-yl-1,1-diphenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

397.2617 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.26898 200.3
[M+Na]+ 420.25092 199.4
[M-H]- 396.25442 205.1
[M+NH4]+ 415.29552 206.4
[M+K]+ 436.22486 196.3
[M+H-H2O]+ 380.25896 189.6
[M+HCOO]- 442.25990 211.1
[M+CH3COO]- 456.27555 220.0
[M+Na-2H]- 418.23637 200.9
[M]+ 397.26115 197.8
[M]- 397.26225 197.8
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.