CID 86059

Ucb 1486

Structural Information

Molecular Formula
C23H31ClN2O3
SMILES
C1CN(CCN1CCOCCO)CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H31ClN2O3/c24-22-8-6-21(7-9-22)23(20-4-2-1-3-5-20)29-18-15-26-12-10-25(11-13-26)14-17-28-19-16-27/h1-9,23,27H,10-19H2
InChIKey
WYAFTWOVSUXOHX-UHFFFAOYSA-N
Compound name
2-[2-[4-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]piperazin-1-yl]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

418.20233 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.20961 201.1
[M+Na]+ 441.19155 203.2
[M-H]- 417.19505 204.3
[M+NH4]+ 436.23615 207.6
[M+K]+ 457.16549 196.8
[M+H-H2O]+ 401.19959 189.5
[M+HCOO]- 463.20053 210.0
[M+CH3COO]- 477.21618 221.2
[M+Na-2H]- 439.17700 200.5
[M]+ 418.20178 201.9
[M]- 418.20288 201.9
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

No patent data available for this compound.