CID 91016

23904-82-7

Structural Information

Molecular Formula
C26H29ClN2O
SMILES
CC1=CC(=CC=C1)N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H29ClN2O/c1-21-6-5-9-25(20-21)29-16-14-28(15-17-29)18-19-30-26(22-7-3-2-4-8-22)23-10-12-24(27)13-11-23/h2-13,20,26H,14-19H2,1H3
InChIKey
PFWRXUURTBSRAE-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(3-methylphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.19684 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.20412 204.8
[M+Na]+ 443.18606 208.4
[M-H]- 419.18956 212.3
[M+NH4]+ 438.23066 211.5
[M+K]+ 459.16000 200.2
[M+H-H2O]+ 403.19410 191.5
[M+HCOO]- 465.19504 214.7
[M+CH3COO]- 479.21069 211.3
[M+Na-2H]- 441.17151 204.1
[M]+ 420.19629 203.1
[M]- 420.19739 203.1
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.