CID 59624

2,2,2-triphenylacetic acid (2-morpholinoethyl) ester hydrochloride ethanoate

Structural Information

Molecular Formula
C26H29NO3
SMILES
C1COCCN1CCOC(C(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)O
InChI
InChI=1S/C26H29NO3/c28-25(30-21-18-27-16-19-29-20-17-27)26(22-10-4-1-5-11-22,23-12-6-2-7-13-23)24-14-8-3-9-15-24/h1-15,25,28H,16-21H2
InChIKey
UGUDAUSWXPADIG-UHFFFAOYSA-N
Compound name
1-(2-morpholin-4-ylethoxy)-2,2,2-triphenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

403.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.222026 197.9
[M+Na]+ 426.203968 198.0
[M-H]- 402.207474 205.8
[M+NH4]+ 421.248573 202.9
[M+K]+ 442.177908 193.8
[M+H-H2O]+ 386.212010 185.9
[M+HCOO]- 448.212951 210.4
[M+CH3COO]- 462.228601 204.2
[M+Na-2H]- 424.189416 201.3
[M]+ 403.21420142 193.3
[M]- 403.21529858 193.3
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.