CID 48235

Acetic acid, (2,2-diphenyl-1-ethyl-4-morpholino)pentyl ester, hydrochloride

Structural Information

Molecular Formula
C25H33NO3
SMILES
CCC(C(CC(C)N1CCOCC1)(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C
InChI
InChI=1S/C25H33NO3/c1-4-24(29-21(3)27)25(22-11-7-5-8-12-22,23-13-9-6-10-14-23)19-20(2)26-15-17-28-18-16-26/h5-14,20,24H,4,15-19H2,1-3H3
InChIKey
OGXAEXJIKMPMMH-UHFFFAOYSA-N
Compound name
(6-morpholin-4-yl-4,4-diphenylheptan-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.24603 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.25331 199.2
[M+Na]+ 418.23525 198.8
[M-H]- 394.23875 205.5
[M+NH4]+ 413.27985 205.9
[M+K]+ 434.20919 196.5
[M+H-H2O]+ 378.24329 188.4
[M+HCOO]- 440.24423 210.7
[M+CH3COO]- 454.25988 222.0
[M+Na-2H]- 416.22070 199.0
[M]+ 395.24548 197.1
[M]- 395.24658 197.1
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

patents stripe