CID 104623

Schembl32668994

Structural Information

Molecular Formula
C23H31ClN2O3
SMILES
C1CN(CCN1CCOCCOCCO)CC2=CC=C(C=C2)C3=CC=C(C=C3)Cl
InChI
InChI=1S/C23H31ClN2O3/c24-23-7-5-22(6-8-23)21-3-1-20(2-4-21)19-26-11-9-25(10-12-26)13-15-28-17-18-29-16-14-27/h1-8,27H,9-19H2
InChIKey
SIRRINZRCWSWJA-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-[[4-(4-chlorophenyl)phenyl]methyl]piperazin-1-yl]ethoxy]ethoxy]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

418.20233 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 419.209606 202.0
[M+Na]+ 441.191548 205.4
[M-H]- 417.195054 205.4
[M+NH4]+ 436.236153 208.9
[M+K]+ 457.165488 198.4
[M+H-H2O]+ 401.199590 190.3
[M+HCOO]- 463.200531 211.9
[M+CH3COO]- 477.216181 221.5
[M+Na-2H]- 439.176996 201.7
[M]+ 418.20178142 203.7
[M]- 418.20287858 203.7
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