CID 3051488

67466-00-6

Structural Information

Molecular Formula
C22H27NO3
SMILES
C1COCCN1CCOC(=O)C(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H27NO3/c24-22(26-16-13-23-11-14-25-15-12-23)21(17-19-7-3-1-4-8-19)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2
InChIKey
JFABDAQQUMPEPJ-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 2-benzyl-3-phenylpropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.1991 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.20638 187.5
[M+Na]+ 376.18832 188.3
[M-H]- 352.19182 194.0
[M+NH4]+ 371.23292 195.9
[M+K]+ 392.16226 185.5
[M+H-H2O]+ 336.19636 176.3
[M+HCOO]- 398.19730 202.6
[M+CH3COO]- 412.21295 211.9
[M+Na-2H]- 374.17377 188.9
[M]+ 353.19855 185.4
[M]- 353.19965 185.4
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.