CID 91012

23904-79-2

Structural Information

Molecular Formula
C26H29ClN2O2
SMILES
COC1=CC=CC=C1N2CCN(CC2)CCOC(C3=CC=CC=C3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C26H29ClN2O2/c1-30-25-10-6-5-9-24(25)29-17-15-28(16-18-29)19-20-31-26(21-7-3-2-4-8-21)22-11-13-23(27)14-12-22/h2-14,26H,15-20H2,1H3
InChIKey
RBHRYZQDGHCANK-UHFFFAOYSA-N
Compound name
1-[2-[(4-chlorophenyl)-phenylmethoxy]ethyl]-4-(2-methoxyphenyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

436.19174 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19902 209.4
[M+Na]+ 459.18096 226.1
[M+NH4]+ 454.22556 217.5
[M+K]+ 475.15490 215.2
[M-H]- 435.18446 217.5
[M+Na-2H]- 457.16641 220.4
[M]+ 436.19119 214.6
[M]- 436.19229 214.6
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.