CID 91073

1-(4-(alpha-(p-chlorophenyl)benzyloxy)butyl)-4-(2-hydroxypropyl)piperazine dimaleate

Structural Information

Molecular Formula
C24H33ClN2O2
SMILES
CC(CN1CCN(CC1)CCCCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C24H33ClN2O2/c1-20(28)19-27-16-14-26(15-17-27)13-5-6-18-29-24(21-7-3-2-4-8-21)22-9-11-23(25)12-10-22/h2-4,7-12,20,24,28H,5-6,13-19H2,1H3
InChIKey
QMQRPMOWAHJHGA-UHFFFAOYSA-N
Compound name
1-[4-[4-[(4-chlorophenyl)-phenylmethoxy]butyl]piperazin-1-yl]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.22305 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.23033 202.7
[M+Na]+ 439.21227 204.2
[M-H]- 415.21577 205.7
[M+NH4]+ 434.25687 209.3
[M+K]+ 455.18621 197.4
[M+H-H2O]+ 399.22031 191.3
[M+HCOO]- 461.22125 210.1
[M+CH3COO]- 475.23690 222.9
[M+Na-2H]- 437.19772 200.3
[M]+ 416.22250 201.9
[M]- 416.22360 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.