CID 48086

2,2-diphenylacetic acid (2,2-dimethyl-3-morpholinopropyl) ester hydrochloride

Structural Information

Molecular Formula
C23H29NO3
SMILES
CC(C)(CN1CCOCC1)COC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C23H29NO3/c1-23(2,17-24-13-15-26-16-14-24)18-27-22(25)21(19-9-5-3-6-10-19)20-11-7-4-8-12-20/h3-12,21H,13-18H2,1-2H3
InChIKey
IAGLOPOKOOHYOH-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3-morpholin-4-ylpropyl) 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

367.21475 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.22203 190.9
[M+Na]+ 390.20397 191.7
[M-H]- 366.20747 197.5
[M+NH4]+ 385.24857 198.9
[M+K]+ 406.17791 189.3
[M+H-H2O]+ 350.21201 180.3
[M+HCOO]- 412.21295 204.1
[M+CH3COO]- 426.22860 215.3
[M+Na-2H]- 388.18942 192.8
[M]+ 367.21420 188.7
[M]- 367.21530 188.7
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.