CID 11980065

1-phenyl-4-(2-(alpha-(o-tolyl)benzyloxy)ethyl)piperazine oxalate hemihydrate

Structural Information

Molecular Formula
C26H30N2O
SMILES
CC1=CC=CC=C1C(C2=CC=CC=C2)OCCN3CCN(CC3)C4=CC=CC=C4
InChI
InChI=1S/C26H30N2O/c1-22-10-8-9-15-25(22)26(23-11-4-2-5-12-23)29-21-20-27-16-18-28(19-17-27)24-13-6-3-7-14-24/h2-15,26H,16-21H2,1H3
InChIKey
HZKCMCSNNIDTJE-UHFFFAOYSA-N
Compound name
1-[2-[(2-methylphenyl)-phenylmethoxy]ethyl]-4-phenylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.2358 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.24308 198.0
[M+Na]+ 409.22502 199.9
[M-H]- 385.22852 205.5
[M+NH4]+ 404.26962 204.8
[M+K]+ 425.19896 193.0
[M+H-H2O]+ 369.23306 184.4
[M+HCOO]- 431.23400 212.5
[M+CH3COO]- 445.24965 204.6
[M+Na-2H]- 407.21047 198.6
[M]+ 386.23525 193.3
[M]- 386.23635 193.3
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.