CID 3046641

62469-45-8

Structural Information

Molecular Formula
C25H34N2O3
SMILES
CCN(CC)CC(CN1CCOCC1)OC(=O)C(C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H34N2O3/c1-3-26(4-2)19-23(20-27-15-17-29-18-16-27)30-25(28)24(21-11-7-5-8-12-21)22-13-9-6-10-14-22/h5-14,23-24H,3-4,15-20H2,1-2H3
InChIKey
JRVGHLQZYFDFPW-UHFFFAOYSA-N
Compound name
[1-(diethylamino)-3-morpholin-4-ylpropan-2-yl] 2,2-diphenylacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

410.25696 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.26424 204.4
[M+Na]+ 433.24618 202.7
[M-H]- 409.24968 211.6
[M+NH4]+ 428.29078 210.5
[M+K]+ 449.22012 201.2
[M+H-H2O]+ 393.25422 192.3
[M+HCOO]- 455.25516 218.9
[M+CH3COO]- 469.27081 229.8
[M+Na-2H]- 431.23163 203.0
[M]+ 410.25641 203.2
[M]- 410.25751 203.2
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.