CID 3057378

74037-80-2

Structural Information

Molecular Formula
C26H29ClN2O2
SMILES
COC1=CC=C(C=C1)CN2CCN(CC2)C(C3=CC=CC=C3Cl)C(C4=CC=CC=C4)O
InChI
InChI=1S/C26H29ClN2O2/c1-31-22-13-11-20(12-14-22)19-28-15-17-29(18-16-28)25(23-9-5-6-10-24(23)27)26(30)21-7-3-2-4-8-21/h2-14,25-26,30H,15-19H2,1H3
InChIKey
IGFBDYAADYLYDQ-UHFFFAOYSA-N
Compound name
2-(2-chlorophenyl)-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

436.19174 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19902 208.9
[M+Na]+ 459.18096 224.8
[M+NH4]+ 454.22556 216.5
[M+K]+ 475.15490 215.0
[M-H]- 435.18446 216.4
[M+Na-2H]- 457.16641 219.1
[M]+ 436.19119 213.7
[M]- 436.19229 213.7
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

patents stripe