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 207.5
[M+Na]+ 459.18096 210.9
[M-H]- 435.18446 215.1
[M+NH4]+ 454.22556 213.4
[M+K]+ 475.15490 203.5
[M+H-H2O]+ 419.18900 194.0
[M+HCOO]- 481.18994 217.5
[M+CH3COO]- 495.20559 213.9
[M+Na-2H]- 457.16641 206.9
[M]+ 436.19119 207.1
[M]- 436.19229 207.1
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.