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]+ 404.22203 197.9
[M+Na]+ 426.20397 198.0
[M-H]- 402.20747 205.8
[M+NH4]+ 421.24857 202.9
[M+K]+ 442.17791 193.8
[M+H-H2O]+ 386.21201 185.9
[M+HCOO]- 448.21295 210.4
[M+CH3COO]- 462.22860 204.2
[M+Na-2H]- 424.18942 201.3
[M]+ 403.21420 193.3
[M]- 403.21530 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.