CID 3046276

4-(2-(4-(2-(diphenylmethoxy)ethyl)piperazinyl)acetyl)morpholine dimaleate

Structural Information

Molecular Formula
C25H33N3O3
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=CC=C3)CC(=O)N4CCOCC4
InChI
InChI=1S/C25H33N3O3/c29-24(28-16-18-30-19-17-28)21-27-13-11-26(12-14-27)15-20-31-25(22-7-3-1-4-8-22)23-9-5-2-6-10-23/h1-10,25H,11-21H2
InChIKey
WVFMNKLMANEYNN-UHFFFAOYSA-N
Compound name
2-[4-(2-benzhydryloxyethyl)piperazin-1-yl]-1-morpholin-4-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

423.2522 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.25948 205.0
[M+Na]+ 446.24142 203.2
[M-H]- 422.24492 210.5
[M+NH4]+ 441.28602 206.8
[M+K]+ 462.21536 199.3
[M+H-H2O]+ 406.24946 190.4
[M+HCOO]- 468.25040 212.9
[M+CH3COO]- 482.26605 209.1
[M+Na-2H]- 444.22687 203.4
[M]+ 423.25165 197.9
[M]- 423.25275 197.9
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