CID 91071

1-(2-(alpha-(p-chlorophenyl)benzyloxy)ethyl)-4-(2-pyridyl)piperazine maleate

Structural Information

Molecular Formula
C24H26ClN3O
SMILES
C1CN(CCN1CCOC(C2=CC=CC=C2)C3=CC=C(C=C3)Cl)C4=CC=CC=N4
InChI
InChI=1S/C24H26ClN3O/c25-22-11-9-21(10-12-22)24(20-6-2-1-3-7-20)29-19-18-27-14-16-28(17-15-27)23-8-4-5-13-26-23/h1-13,24H,14-19H2
InChIKey
VSFHYEQPGPHGBA-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-pyridin-2-ylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

407.17645 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.18373 199.0
[M+Na]+ 430.16567 202.5
[M-H]- 406.16917 205.0
[M+NH4]+ 425.21027 204.5
[M+K]+ 446.13961 194.4
[M+H-H2O]+ 390.17371 184.9
[M+HCOO]- 452.17465 208.1
[M+CH3COO]- 466.19030 205.3
[M+Na-2H]- 428.15112 200.3
[M]+ 407.17590 196.6
[M]- 407.17700 196.6
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.